CID 74404

2-chloropyrimidine

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

31
References

18751
Patents

113.998474 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.005750 114.9
[M+Na]+ 136.987692 125.2
[M-H]- 112.991198 115.9
[M+NH4]+ 132.032297 135.7
[M+K]+ 152.961632 122.5
[M+H-H2O]+ 96.995734 108.9
[M+HCOO]- 158.996675 133.8
[M+CH3COO]- 173.012325 165.7
[M+Na-2H]- 134.973140 125.6
[M]+ 113.99792542 115.8
[M]- 113.99902258 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

literature stripe

Patent stripe

patents stripe