CID 20600736

5-bromo-2-chloro-4-methylpyrimidine

Structural Information

Molecular Formula
C5H4BrClN2
SMILES
CC1=NC(=NC=C1Br)Cl
InChI
InChI=1S/C5H4BrClN2/c1-3-4(6)2-8-5(7)9-3/h2H,1H3
InChIKey
IIALSLVGUGOODS-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-4-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

290
Patents

205.92464 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.93192 126.1
[M+Na]+ 228.91386 141.2
[M-H]- 204.91736 130.5
[M+NH4]+ 223.95846 147.6
[M+K]+ 244.88780 129.1
[M+H-H2O]+ 188.92190 126.7
[M+HCOO]- 250.92284 142.6
[M+CH3COO]- 264.93849 181.5
[M+Na-2H]- 226.89931 136.1
[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