CID 606665

5-bromo-2-chloropyrimidine

Structural Information

Molecular Formula
C4H2BrClN2
SMILES
C1=C(C=NC(=N1)Cl)Br
InChI
InChI=1S/C4H2BrClN2/c5-3-1-7-4(6)8-2-3/h1-2H
InChIKey
XPGIBDJXEVAVTO-UHFFFAOYSA-N
Compound name
5-bromo-2-chloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5844
Patents

191.909 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.91628 121.8
[M+Na]+ 214.89822 136.4
[M-H]- 190.90172 126.0
[M+NH4]+ 209.94282 143.6
[M+K]+ 230.87216 124.6
[M+H-H2O]+ 174.90626 122.4
[M+HCOO]- 236.90720 138.7
[M+CH3COO]- 250.92285 177.7
[M+Na-2H]- 212.88367 133.0
[M]+ 191.90845 141.7
[M]- 191.90955 141.7
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