CID 597238

1252046-15-3

Structural Information

Molecular Formula
C9H7ClN2O2
SMILES
C1=CC2=C(C=C1Cl)NC(=N2)CC(=O)O
InChI
InChI=1S/C9H7ClN2O2/c10-5-1-2-6-7(3-5)12-8(11-6)4-9(13)14/h1-3H,4H2,(H,11,12)(H,13,14)
InChIKey
DHHUPGJLPIWIGU-UHFFFAOYSA-N
Compound name
2-(6-chloro-1H-benzimidazol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

210.0196 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02688 140.0
[M+Na]+ 233.00882 151.4
[M-H]- 209.01232 140.1
[M+NH4]+ 228.05342 158.8
[M+K]+ 248.98276 145.9
[M+H-H2O]+ 193.01686 134.3
[M+HCOO]- 255.01780 156.0
[M+CH3COO]- 269.03345 178.9
[M+Na-2H]- 230.99427 145.8
[M]+ 210.01905 142.4
[M]- 210.02015 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe