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]+ 261.04814 149.5
[M+Na]+ 283.03008 161.3
[M-H]- 259.03358 146.3
[M+NH4]+ 278.07468 165.5
[M+K]+ 299.00402 156.4
[M+H-H2O]+ 243.03812 141.1
[M+HCOO]- 305.03906 165.3
[M+CH3COO]- 319.05471 188.6
[M+Na-2H]- 281.01553 153.7
[M]+ 260.04031 147.5
[M]- 260.04141 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