CID 57422926

2-chloro-5-(pyridin-2-yl)benzoic acid

Structural Information

Molecular Formula
C12H8ClNO2
SMILES
C1=CC=NC(=C1)C2=CC(=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C12H8ClNO2/c13-10-5-4-8(7-9(10)12(15)16)11-3-1-2-6-14-11/h1-7H,(H,15,16)
InChIKey
SNQIOWXZSAAIRD-UHFFFAOYSA-N
Compound name
2-chloro-5-pyridin-2-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

233.02435 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.03163 147.5
[M+Na]+ 256.01357 163.5
[M+NH4]+ 251.05817 156.1
[M+K]+ 271.98751 156.0
[M-H]- 232.01707 151.1
[M+Na-2H]- 253.99902 157.0
[M]+ 233.02380 151.2
[M]- 233.02490 151.2
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