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

49
Patents

157.00429 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.011566 126.7
[M+Na]+ 179.993508 136.6
[M-H]- 155.997014 127.6
[M+NH4]+ 175.038113 145.3
[M+K]+ 195.967448 133.5
[M+H-H2O]+ 140.001550 120.4
[M+HCOO]- 202.002491 145.2
[M+CH3COO]- 216.018141 175.7
[M+Na-2H]- 177.978956 134.0
[M]+ 157.00374142 126.7
[M]- 157.00483858 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