CID 12863347

6-chloropyrimidine-4-carboxamide

Structural Information

Molecular Formula
C5H4ClN3O
SMILES
C1=C(N=CN=C1Cl)C(=O)N
InChI
InChI=1S/C5H4ClN3O/c6-4-1-3(5(7)10)8-2-9-4/h1-2H,(H2,7,10)
InChIKey
KGHJFIXIQDWTSU-UHFFFAOYSA-N
Compound name
6-chloropyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

157.00429 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.01157 126.7
[M+Na]+ 179.99351 136.6
[M-H]- 155.99701 127.6
[M+NH4]+ 175.03811 145.3
[M+K]+ 195.96745 133.5
[M+H-H2O]+ 140.00155 120.4
[M+HCOO]- 202.00249 145.2
[M+CH3COO]- 216.01814 175.7
[M+Na-2H]- 177.97896 134.0
[M]+ 157.00374 126.7
[M]- 157.00484 126.7
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