CID 642834

4-chloropyrimidine

Structural Information

Molecular Formula
C4H3ClN2
SMILES
C1=CN=CN=C1Cl
InChI
InChI=1S/C4H3ClN2/c5-4-1-2-6-3-7-4/h1-3H
InChIKey
DBPKMSBWOKAKLA-UHFFFAOYSA-N
Compound name
4-chloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4475
Patents

113.998474 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.00575 114.9
[M+Na]+ 136.98769 125.2
[M-H]- 112.99120 115.9
[M+NH4]+ 132.03230 135.7
[M+K]+ 152.96163 122.5
[M+H-H2O]+ 96.995734 108.9
[M+HCOO]- 158.99668 133.8
[M+CH3COO]- 173.01232 165.7
[M+Na-2H]- 134.97314 125.6
[M]+ 113.99793 115.8
[M]- 113.99902 115.8
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

No patent data available for this compound.