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

48
Patents

205.92464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.93192 126.4
[M+Na]+ 228.91386 140.6
[M-H]- 204.91736 130.5
[M+NH4]+ 223.95846 147.7
[M+K]+ 244.88780 128.6
[M+H-H2O]+ 188.92190 126.8
[M+HCOO]- 250.92284 143.0
[M+CH3COO]- 264.93849 180.5
[M+Na-2H]- 226.89931 137.1
[M]+ 205.92409 146.7
[M]- 205.92519 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