CID 119022429

1356850-56-0

Structural Information

Molecular Formula
C7H3ClN2O2
SMILES
C1=CC(=C(N=C1C#N)Cl)C(=O)O
InChI
InChI=1S/C7H3ClN2O2/c8-6-5(7(11)12)2-1-4(3-9)10-6/h1-2H,(H,11,12)
InChIKey
AQQPSOFXRJPCIR-UHFFFAOYSA-N
Compound name
2-chloro-6-cyanopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

181.98831 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.995586 133.1
[M+Na]+ 204.977528 145.1
[M-H]- 180.981034 134.4
[M+NH4]+ 200.022133 150.2
[M+K]+ 220.951468 141.1
[M+H-H2O]+ 164.985570 121.6
[M+HCOO]- 226.986511 147.6
[M+CH3COO]- 241.002161 189.4
[M+Na-2H]- 202.962976 138.5
[M]+ 181.98776142 129.8
[M]- 181.98885858 129.8
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