CID 2762505

185423-02-3

Structural Information

Molecular Formula
C6H4ClNO3
SMILES
C1=CN=C(C(=C1C(=O)O)O)Cl
InChI
InChI=1S/C6H4ClNO3/c7-5-4(9)3(6(10)11)1-2-8-5/h1-2,9H,(H,10,11)
InChIKey
OCZTVFQQUDHTGW-UHFFFAOYSA-N
Compound name
2-chloro-3-hydroxypyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.98798 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.995256 127.7
[M+Na]+ 195.977198 138.1
[M-H]- 171.980704 128.2
[M+NH4]+ 191.021803 146.5
[M+K]+ 211.951138 134.6
[M+H-H2O]+ 155.985240 123.3
[M+HCOO]- 217.986181 144.3
[M+CH3COO]- 232.001831 172.0
[M+Na-2H]- 193.962646 133.7
[M]+ 172.98743142 129.0
[M]- 172.98852858 129.0
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