CID 60173120

1179224-44-2

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
C1=CC2=C(C(=C1)Cl)N=C(N2)CCC(=O)O
InChI
InChI=1S/C10H9ClN2O2/c11-6-2-1-3-7-10(6)13-8(12-7)4-5-9(14)15/h1-3H,4-5H2,(H,12,13)(H,14,15)
InChIKey
KNPFNMWDLYTACJ-UHFFFAOYSA-N
Compound name
3-(4-chloro-1H-benzimidazol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.03525 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.042526 144.7
[M+Na]+ 247.024468 155.7
[M-H]- 223.027974 144.6
[M+NH4]+ 242.069073 162.9
[M+K]+ 262.998408 149.9
[M+H-H2O]+ 207.032510 138.8
[M+HCOO]- 269.033451 160.3
[M+CH3COO]- 283.049101 181.9
[M+Na-2H]- 245.009916 149.9
[M]+ 224.03470142 147.5
[M]- 224.03579858 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

No patent data available for this compound.