CID 10631129

2-chloro-5-pyrimidinecarbonyl chloride

Structural Information

Molecular Formula
C5H2Cl2N2O
SMILES
C1=C(C=NC(=N1)Cl)C(=O)Cl
InChI
InChI=1S/C5H2Cl2N2O/c6-4(10)3-1-8-5(7)9-2-3/h1-2H
InChIKey
JUYQWJULYXCBAV-UHFFFAOYSA-N
Compound name
2-chloropyrimidine-5-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

175.95442 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.96170 126.0
[M+Na]+ 198.94364 136.9
[M-H]- 174.94714 126.5
[M+NH4]+ 193.98824 144.7
[M+K]+ 214.91758 132.9
[M+H-H2O]+ 158.95168 120.5
[M+HCOO]- 220.95262 138.8
[M+CH3COO]- 234.96827 176.5
[M+Na-2H]- 196.92909 133.4
[M]+ 175.95387 128.5
[M]- 175.95497 128.5
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