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]+ 143.000676 121.4
[M+Na]+ 164.982618 131.2
[M-H]- 140.986124 122.4
[M+NH4]+ 160.027223 140.9
[M+K]+ 180.956558 128.6
[M+H-H2O]+ 124.990660 115.2
[M+HCOO]- 186.991601 139.4
[M+CH3COO]- 201.007251 170.5
[M+Na-2H]- 162.968066 130.3
[M]+ 141.99285142 122.8
[M]- 141.99394858 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