CID 3876431

N-benzyl-1-(4-bromophenyl)methanamine

Structural Information

Molecular Formula
C14H14BrN
SMILES
C1=CC=C(C=C1)CNCC2=CC=C(C=C2)Br
InChI
InChI=1S/C14H14BrN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
InChIKey
QXBYDLUZMIWCRP-UHFFFAOYSA-N
Compound name
N-[(4-bromophenyl)methyl]-1-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

275.03094 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.03822 154.9
[M+Na]+ 298.02016 164.4
[M-H]- 274.02366 163.6
[M+NH4]+ 293.06476 174.2
[M+K]+ 313.99410 152.0
[M+H-H2O]+ 258.02820 153.6
[M+HCOO]- 320.02914 177.6
[M+CH3COO]- 334.04479 197.5
[M+Na-2H]- 296.00561 163.2
[M]+ 275.03039 172.3
[M]- 275.03149 172.3
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