CID 2775225

306935-42-2

Structural Information

Molecular Formula

C₁₂H₁₁F₃N₂O₂

SMILES

CC(C)N1C2=C(C=C(C=C2)C(=O)O)N=C1C(F)(F)F

InChI

InChI=1S/C12H11F3N2O2/c1-6(2)17-9-4-3-7(10(18)19)5-8(9)16-11(17)12(13,14)15/h3-6H,1-2H3,(H,18,19)

InChIKey

AHTNGRMQJZPRNL-UHFFFAOYSA-N

Compound name

1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 272.07727 Da
Monoisotopic Mass: 2.6
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]+	273.084546	156.0
[M+Na]+	295.066488	167.0
[M-H]-	271.069994	153.9
[M+NH4]+	290.111093	172.3
[M+K]+	311.040428	163.0
[M+H-H2O]+	255.074530	147.3
[M+HCOO]-	317.075471	171.3
[M+CH3COO]-	331.091121	196.6
[M+Na-2H]-	293.051936	158.4
[M]+	272.07672142	155.3
[M]-	272.07781858	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe