CID 28491122

6-(1h-1,3-benzodiazol-1-yl)-3-chloropyridine-2-carboxylic acid

Structural Information

Molecular Formula
C13H8ClN3O2
SMILES
C1=CC=C2C(=C1)N=CN2C3=NC(=C(C=C3)Cl)C(=O)O
InChI
InChI=1S/C13H8ClN3O2/c14-8-5-6-11(16-12(8)13(18)19)17-7-15-9-3-1-2-4-10(9)17/h1-7H,(H,18,19)
InChIKey
ASJHIOLVWADSEY-UHFFFAOYSA-N
Compound name
6-(benzimidazol-1-yl)-3-chloropyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.03052 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.03780 156.6
[M+Na]+ 296.01974 168.8
[M-H]- 272.02324 160.1
[M+NH4]+ 291.06434 171.9
[M+K]+ 311.99368 162.5
[M+H-H2O]+ 256.02778 148.2
[M+HCOO]- 318.02872 172.6
[M+CH3COO]- 332.04437 169.0
[M+Na-2H]- 294.00519 162.2
[M]+ 273.02997 160.7
[M]- 273.03107 160.7
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.