CID 53350354

1060804-57-0

Structural Information

Molecular Formula
C6H4ClNO3
SMILES
C1=C(C(=CN=C1Cl)O)C(=O)O
InChI
InChI=1S/C6H4ClNO3/c7-5-1-3(6(10)11)4(9)2-8-5/h1-2,9H,(H,10,11)
InChIKey
HRQRNMNNTRITIK-UHFFFAOYSA-N
Compound name
2-chloro-5-hydroxypyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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

literature stripe

Patent stripe

patents stripe