PubChemLite - Phenol, 2-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-6-[5-(trifluoromethyl)-2h-benzotriazol-2-yl]- (C30H34F3N3O)

Structural Information

Molecular Formula

SMILES

CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)C(F)(F)F)O)C(C)(C)C4=CC=CC=C4

InChI

InChI=1S/C30H34F3N3O/c1-27(2,3)18-28(4,5)21-15-22(29(6,7)19-11-9-8-10-12-19)26(37)25(17-21)36-34-23-14-13-20(30(31,32)33)16-24(23)35-36/h8-17,37H,18H2,1-7H3

InChIKey

NEAHJFGPHPHWND-UHFFFAOYSA-N

Compound name

2-(2-phenylpropan-2-yl)-6-[5-(trifluoromethyl)benzotriazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	510.27268	231.8
[M+Na]+	532.25462	240.0
[M-H]-	508.25812	234.4
[M+NH4]+	527.29922	236.8
[M+K]+	548.22856	232.1
[M+H-H2O]+	492.26266	219.2
[M+HCOO]-	554.26360	238.3
[M+CH3COO]-	568.27925	244.1
[M+Na-2H]-	530.24007	233.4
[M]+	509.26485	231.8
[M]-	509.26595	231.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

510.27268

231.8

[M+Na]+

532.25462

240.0

[M-H]-

508.25812

234.4

[M+NH4]+

527.29922

236.8

[M+K]+

548.22856

232.1

[M+H-H2O]+

492.26266

219.2

[M+HCOO]-

554.26360

238.3

[M+CH3COO]-

568.27925

244.1

[M+Na-2H]-

530.24007

233.4

[M]+

509.26485

231.8

[M]-

509.26595

231.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Phenol, 2-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-6-[5-(trifluoromethyl)-2h-benzotriazol-2-yl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe