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

27
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 156.0
[M+Na]+ 295.06649 167.0
[M-H]- 271.06999 153.9
[M+NH4]+ 290.11109 172.3
[M+K]+ 311.04043 163.0
[M+H-H2O]+ 255.07453 147.3
[M+HCOO]- 317.07547 171.3
[M+CH3COO]- 331.09112 196.6
[M+Na-2H]- 293.05194 158.4
[M]+ 272.07672 155.3
[M]- 272.07782 155.3
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