CID 15839553

Pyrimidine-5-carbonyl chloride

Structural Information

Molecular Formula
C5H3ClN2O
SMILES
C1=C(C=NC=N1)C(=O)Cl
InChI
InChI=1S/C5H3ClN2O/c6-5(9)4-1-7-3-8-2-4/h1-3H
InChIKey
NFKXXURQUMEXDJ-UHFFFAOYSA-N
Compound name
pyrimidine-5-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
Patents

141.9934 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.00068 121.4
[M+Na]+ 164.98262 131.2
[M-H]- 140.98612 122.4
[M+NH4]+ 160.02722 140.9
[M+K]+ 180.95656 128.6
[M+H-H2O]+ 124.99066 115.2
[M+HCOO]- 186.99160 139.4
[M+CH3COO]- 201.00725 170.5
[M+Na-2H]- 162.96807 130.3
[M]+ 141.99285 122.8
[M]- 141.99395 122.8
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