PubChemLite - 101221-66-3 (C22H16F12N2O2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)/C(=N\N=C(/C2=CC=CC=C2)\CC(O)(C(F)(F)F)C(F)(F)F)/CC(O)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C22H16F12N2O2/c23-19(24,25)17(37,20(26,27)28)11-15(13-7-3-1-4-8-13)35-36-16(14-9-5-2-6-10-14)12-18(38,21(29,30)31)22(32,33)34/h1-10,37-38H,11-12H2/b35-15-,36-16-

InChIKey

OCYOZXHRTYHUGG-RLCVYHGHSA-N

Compound name

(4Z)-1,1,1-trifluoro-4-phenyl-4-[(Z)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol

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]+	569.10928	217.6
[M+Na]+	591.09122	222.7
[M-H]-	567.09472	209.2
[M+NH4]+	586.13582	220.3
[M+K]+	607.06516	217.0
[M+H-H2O]+	551.09926	200.8
[M+HCOO]-	613.10020	218.0
[M+CH3COO]-	627.11585	249.8
[M+Na-2H]-	589.07667	219.9
[M]+	568.10145	199.2
[M]-	568.10255	199.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

569.10928

217.6

[M+Na]+

591.09122

222.7

[M-H]-

567.09472

209.2

[M+NH4]+

586.13582

220.3

[M+K]+

607.06516

217.0

[M+H-H2O]+

551.09926

200.8

[M+HCOO]-

613.10020

218.0

[M+CH3COO]-

627.11585

249.8

[M+Na-2H]-

589.07667

219.9

[M]+

568.10145

199.2

[M]-

568.10255

199.2

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

101221-66-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe