CID 7009419

Bis(2-bromobenzyl)amine hydrochloride

Structural Information

Molecular Formula
C14H13Br2N
SMILES
C1=CC=C(C(=C1)CNCC2=CC=CC=C2Br)Br
InChI
InChI=1S/C14H13Br2N/c15-13-7-3-1-5-11(13)9-17-10-12-6-2-4-8-14(12)16/h1-8,17H,9-10H2
InChIKey
LJFMBTCJNJSOJE-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)-N-[(2-bromophenyl)methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.94147 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.94875 157.5
[M+Na]+ 375.93069 166.6
[M-H]- 351.93419 166.1
[M+NH4]+ 370.97529 174.5
[M+K]+ 391.90463 150.3
[M+H-H2O]+ 335.93873 164.3
[M+HCOO]- 397.93967 174.4
[M+CH3COO]- 411.95532 213.3
[M+Na-2H]- 373.91614 164.3
[M]+ 352.94092 190.6
[M]- 352.94202 190.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.