CID 10601487

N,n-bis(4-bromobenzyl)amine

Structural Information

Molecular Formula
C14H13Br2N
SMILES
C1=CC(=CC=C1CNCC2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C14H13Br2N/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8,17H,9-10H2
InChIKey
DNHBOKSBUKGKMI-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

352.94147 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.948746 157.5
[M+Na]+ 375.930688 166.6
[M-H]- 351.934194 166.1
[M+NH4]+ 370.975293 174.5
[M+K]+ 391.904628 150.3
[M+H-H2O]+ 335.938730 164.3
[M+HCOO]- 397.939671 174.4
[M+CH3COO]- 411.955321 213.3
[M+Na-2H]- 373.916136 164.3
[M]+ 352.94092142 190.6
[M]- 352.94201858 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

patents stripe