CID 165472594

En300-1116914

Structural Information

Molecular Formula
C10H7F3N2O2
SMILES
CN1C=NC2=C1C=C(C(=C2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C10H7F3N2O2/c1-15-4-14-7-3-6(10(11,12)13)5(9(16)17)2-8(7)15/h2-4H,1H3,(H,16,17)
InChIKey
ZDLWNSOPYXBSMY-UHFFFAOYSA-N
Compound name
3-methyl-6-(trifluoromethyl)benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.04596 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05324 146.9
[M+Na]+ 267.03518 159.1
[M-H]- 243.03868 145.1
[M+NH4]+ 262.07978 164.5
[M+K]+ 283.00912 155.0
[M+H-H2O]+ 227.04322 138.4
[M+HCOO]- 289.04416 163.9
[M+CH3COO]- 303.05981 189.7
[M+Na-2H]- 265.02063 151.5
[M]+ 244.04541 146.1
[M]- 244.04651 146.1
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

No patent data available for this compound.