CID 23653577

Schembl1795642

Structural Information

Molecular Formula

C₁₄H₁₉F₃O₂

SMILES

CC(C)C1=CC(=CC(=C1O)C(C)C)C(C(F)(F)F)O

InChI

InChI=1S/C14H19F3O2/c1-7(2)10-5-9(13(19)14(15,16)17)6-11(8(3)4)12(10)18/h5-8,13,18-19H,1-4H3

InChIKey

SMLUXCFUBRRWFN-UHFFFAOYSA-N

Compound name

2,6-di(propan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 276.13373 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

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]+	277.14101	160.2
[M+Na]+	299.12295	167.2
[M-H]-	275.12645	157.5
[M+NH4]+	294.16755	175.6
[M+K]+	315.09689	164.2
[M+H-H2O]+	259.13099	152.8
[M+HCOO]-	321.13193	172.8
[M+CH3COO]-	335.14758	199.5
[M+Na-2H]-	297.10840	158.1
[M]+	276.13318	156.1
[M]-	276.13428	156.1

Literature stripe

literature stripe

Patent stripe

patents stripe