CID 130120259

4-bromo-6-chloro-2-(methylthio)pyrimidine

Structural Information

Molecular Formula
C5H4BrClN2S
SMILES
CSC1=NC(=CC(=N1)Br)Cl
InChI
InChI=1S/C5H4BrClN2S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3
InChIKey
ROVXCRLPCMNXHR-UHFFFAOYSA-N
Compound name
4-bromo-6-chloro-2-methylsulfanylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.89671 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.90399 124.1
[M+Na]+ 260.88593 139.8
[M-H]- 236.88943 129.1
[M+NH4]+ 255.93053 145.3
[M+K]+ 276.85987 126.8
[M+H-H2O]+ 220.89397 125.3
[M+HCOO]- 282.89491 136.0
[M+CH3COO]- 296.91056 185.0
[M+Na-2H]- 258.87138 131.6
[M]+ 237.89616 146.7
[M]- 237.89726 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

No patent data available for this compound.