CID 119019015

2-chloro-5-cyanopyridine-4-carboxylic acid

Structural Information

Molecular Formula
C7H3ClN2O2
SMILES
C1=C(C(=CN=C1Cl)C#N)C(=O)O
InChI
InChI=1S/C7H3ClN2O2/c8-6-1-5(7(11)12)4(2-9)3-10-6/h1,3H,(H,11,12)
InChIKey
ALFPZPBZMPOWIA-UHFFFAOYSA-N
Compound name
2-chloro-5-cyanopyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.98831 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.99559 133.1
[M+Na]+ 204.97753 145.1
[M-H]- 180.98103 134.4
[M+NH4]+ 200.02213 150.2
[M+K]+ 220.95147 141.1
[M+H-H2O]+ 164.98557 121.6
[M+HCOO]- 226.98651 147.6
[M+CH3COO]- 241.00216 189.4
[M+Na-2H]- 202.96298 138.5
[M]+ 181.98776 129.8
[M]- 181.98886 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

No patent data available for this compound.