CID 237008

5-bromo-4-chloro-6-methylpyrimidin-2-amine

Structural Information

Molecular Formula
C5H5BrClN3
SMILES
CC1=C(C(=NC(=N1)N)Cl)Br
InChI
InChI=1S/C5H5BrClN3/c1-2-3(6)4(7)10-5(8)9-2/h1H3,(H2,8,9,10)
InChIKey
HSYWUFCGTXDANS-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-6-methylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

220.93555 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.942826 131.6
[M+Na]+ 243.924768 146.5
[M-H]- 219.928274 135.7
[M+NH4]+ 238.969373 152.1
[M+K]+ 259.898708 133.6
[M+H-H2O]+ 203.932810 131.5
[M+HCOO]- 265.933751 148.3
[M+CH3COO]- 279.949401 186.3
[M+Na-2H]- 241.910216 139.9
[M]+ 220.93500142 150.8
[M]- 220.93609858 150.8
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