CID 10727771

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

Structural Information

Molecular Formula
C5H5BrClN3
SMILES
CNC1=NC(=NC=C1Br)Cl
InChI
InChI=1S/C5H5BrClN3/c1-8-4-3(6)2-9-5(7)10-4/h2H,1H3,(H,8,9,10)
InChIKey
CFBYDDCMISMIAQ-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-N-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

220.93555 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.94283 136.4
[M+Na]+ 243.92477 141.2
[M+NH4]+ 238.96937 141.4
[M+K]+ 259.89871 140.5
[M-H]- 219.92827 136.9
[M+Na-2H]- 241.91022 141.0
[M]+ 220.93500 136.3
[M]- 220.93610 136.3
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