CID 77571

4-bromobenzylamine

Structural Information

Molecular Formula
C7H8BrN
SMILES
C1=CC(=CC=C1CN)Br
InChI
InChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
InChIKey
XRNVSPDQTPVECU-UHFFFAOYSA-N
Compound name
(4-bromophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

3696
Patents

184.98401 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.99129 130.3
[M+Na]+ 207.97323 134.0
[M+NH4]+ 203.01783 136.2
[M+K]+ 223.94717 133.3
[M-H]- 183.97673 132.1
[M+Na-2H]- 205.95868 135.1
[M]+ 184.98346 130.2
[M]- 184.98456 130.2
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