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

23
Patents

272.07727 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08455 160.0
[M+Na]+ 295.06649 168.5
[M+NH4]+ 290.11109 163.8
[M+K]+ 311.04043 166.6
[M-H]- 271.06999 154.7
[M+Na-2H]- 293.05194 161.6
[M]+ 272.07672 159.2
[M]- 272.07782 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe