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

2
Patents

172.98798 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.99526 127.7
[M+Na]+ 195.97720 138.1
[M-H]- 171.98070 128.2
[M+NH4]+ 191.02180 146.5
[M+K]+ 211.95114 134.6
[M+H-H2O]+ 155.98524 123.3
[M+HCOO]- 217.98618 144.3
[M+CH3COO]- 232.00183 172.0
[M+Na-2H]- 193.96265 133.7
[M]+ 172.98743 129.0
[M]- 172.98853 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