CID 46911845

4-chloropyrimidine-2-carboxylic acid

Structural Information

Molecular Formula
C5H3ClN2O2
SMILES
C1=CN=C(N=C1Cl)C(=O)O
InChI
InChI=1S/C5H3ClN2O2/c6-3-1-2-7-4(8-3)5(9)10/h1-2H,(H,9,10)
InChIKey
UURIMXSRDJGGFO-UHFFFAOYSA-N
Compound name
4-chloropyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

157.98831 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.995586 124.6
[M+Na]+ 180.977528 134.9
[M-H]- 156.981034 124.6
[M+NH4]+ 176.022133 143.0
[M+K]+ 196.951468 131.8
[M+H-H2O]+ 140.985570 118.8
[M+HCOO]- 202.986511 141.4
[M+CH3COO]- 217.002161 171.0
[M+Na-2H]- 178.962976 132.2
[M]+ 157.98776142 125.9
[M]- 157.98885858 125.9
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