CID 129973936

2648940-24-1

Structural Information

Molecular Formula
C7H8BrClN2
SMILES
CC1=CC(=NC(=C1Br)CN)Cl
InChI
InChI=1S/C7H8BrClN2/c1-4-2-6(9)11-5(3-10)7(4)8/h2H,3,10H2,1H3
InChIKey
YJMZQIDKFWAGDW-UHFFFAOYSA-N
Compound name
(3-bromo-6-chloro-4-methylpyridin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.95593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.96321 137.9
[M+Na]+ 256.94515 152.0
[M-H]- 232.94865 143.0
[M+NH4]+ 251.98975 159.2
[M+K]+ 272.91909 138.7
[M+H-H2O]+ 216.95319 138.2
[M+HCOO]- 278.95413 155.2
[M+CH3COO]- 292.96978 189.4
[M+Na-2H]- 254.93060 145.0
[M]+ 233.95538 157.3
[M]- 233.95648 157.3
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

No patent data available for this compound.