CID 165946428

2703781-20-6

Structural Information

Molecular Formula
C7H8BrClN2
SMILES
CC1=CC(=NC(=C1Br)Cl)CN
InChI
InChI=1S/C7H8BrClN2/c1-4-2-5(3-10)11-7(9)6(4)8/h2H,3,10H2,1H3
InChIKey
ZMKUTWKNQXHYOA-UHFFFAOYSA-N
Compound name
(5-bromo-6-chloro-4-methyl-2-pyridinyl)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]+ 234.963206 137.9
[M+Na]+ 256.945148 152.0
[M-H]- 232.948654 143.0
[M+NH4]+ 251.989753 159.2
[M+K]+ 272.919088 138.7
[M+H-H2O]+ 216.953190 138.2
[M+HCOO]- 278.954131 155.2
[M+CH3COO]- 292.969781 189.4
[M+Na-2H]- 254.930596 145.0
[M]+ 233.95538142 157.3
[M]- 233.95647858 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.