CID 155977707

[(5-bromo-2-chloropyridin-4-yl)methyl](methyl)amine

Structural Information

Molecular Formula
C7H8BrClN2
SMILES
CNCC1=CC(=NC=C1Br)Cl
InChI
InChI=1S/C7H8BrClN2/c1-10-3-5-2-7(9)11-4-6(5)8/h2,4,10H,3H2,1H3
InChIKey
HMWAUDJBMYQZMH-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-chloro-4-pyridinyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.95593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.963206 137.2
[M+Na]+ 256.945148 150.5
[M-H]- 232.948654 142.5
[M+NH4]+ 251.989753 158.5
[M+K]+ 272.919088 137.5
[M+H-H2O]+ 216.953190 137.3
[M+HCOO]- 278.954131 155.1
[M+CH3COO]- 292.969781 188.9
[M+Na-2H]- 254.930596 146.0
[M]+ 233.95538142 157.2
[M]- 233.95647858 157.2
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.