CID 20557717

5-bromo-2-(chloromethyl)pyrimidine

Structural Information

Molecular Formula
C5H4BrClN2
SMILES
C1=C(C=NC(=N1)CCl)Br
InChI
InChI=1S/C5H4BrClN2/c6-4-2-8-5(1-7)9-3-4/h2-3H,1H2
InChIKey
QSWREPDNZURRPS-UHFFFAOYSA-N
Compound name
5-bromo-2-(chloromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

205.92464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.931916 126.4
[M+Na]+ 228.913858 140.6
[M-H]- 204.917364 130.5
[M+NH4]+ 223.958463 147.7
[M+K]+ 244.887798 128.6
[M+H-H2O]+ 188.921900 126.8
[M+HCOO]- 250.922841 143.0
[M+CH3COO]- 264.938491 180.5
[M+Na-2H]- 226.899306 137.1
[M]+ 205.92409142 146.7
[M]- 205.92518858 146.7
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