CID 38549

Benzylamine, o-bromo-n-(3-chloropropyl)-n-isopropyl-, hydrochloride

Structural Information

Molecular Formula
C13H19BrClN
SMILES
CC(C)N(CCCCl)CC1=CC=CC=C1Br
InChI
InChI=1S/C13H19BrClN/c1-11(2)16(9-5-8-15)10-12-6-3-4-7-13(12)14/h3-4,6-7,11H,5,8-10H2,1-2H3
InChIKey
YNHJCPPBEDXGOW-UHFFFAOYSA-N
Compound name
N-[(2-bromophenyl)methyl]-3-chloro-N-propan-2-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.03894 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.04622 160.7
[M+Na]+ 326.02816 164.2
[M+NH4]+ 321.07276 166.2
[M+K]+ 342.00210 162.3
[M-H]- 302.03166 162.6
[M+Na-2H]- 324.01361 164.3
[M]+ 303.03839 160.9
[M]- 303.03949 160.9
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.