CID 28398123

2-oxo-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1h-1,3-benzodiazole-5-carboxylic acid

Structural Information

Molecular Formula
C10H7F3N2O3
SMILES
C1=CC2=C(C=C1C(=O)O)NC(=O)N2CC(F)(F)F
InChI
InChI=1S/C10H7F3N2O3/c11-10(12,13)4-15-7-2-1-5(8(16)17)3-6(7)14-9(15)18/h1-3H,4H2,(H,14,18)(H,16,17)
InChIKey
YFGQCLMSIGFFQI-UHFFFAOYSA-N
Compound name
2-oxo-1-(2,2,2-trifluoroethyl)-3H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

260.04086 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.048136 149.5
[M+Na]+ 283.030078 161.3
[M-H]- 259.033584 146.3
[M+NH4]+ 278.074683 165.5
[M+K]+ 299.004018 156.4
[M+H-H2O]+ 243.038120 141.1
[M+HCOO]- 305.039061 165.3
[M+CH3COO]- 319.054711 188.6
[M+Na-2H]- 281.015526 153.7
[M]+ 260.04031142 147.5
[M]- 260.04140858 147.5
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