CID 9965096

N-benzyl-3-bromoaniline

Structural Information

Molecular Formula
C13H12BrN
SMILES
C1=CC=C(C=C1)CNC2=CC(=CC=C2)Br
InChI
InChI=1S/C13H12BrN/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9,15H,10H2
InChIKey
NUZUUCXESJBUMX-UHFFFAOYSA-N
Compound name
N-benzyl-3-bromoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

261.01532 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.022596 150.3
[M+Na]+ 284.004538 160.3
[M-H]- 260.008044 159.2
[M+NH4]+ 279.049143 170.2
[M+K]+ 299.978478 148.1
[M+H-H2O]+ 244.012580 149.2
[M+HCOO]- 306.013521 173.3
[M+CH3COO]- 320.029171 194.7
[M+Na-2H]- 281.989986 159.2
[M]+ 261.01477142 167.4
[M]- 261.01586858 167.4
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