CID 25018359

Benzyl n-[(4-bromophenyl)methyl]carbamate

Structural Information

Molecular Formula
C15H14BrNO2
SMILES
C1=CC=C(C=C1)COC(=O)NCC2=CC=C(C=C2)Br
InChI
InChI=1S/C15H14BrNO2/c16-14-8-6-12(7-9-14)10-17-15(18)19-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,18)
InChIKey
OKCHZXGMHUPTNU-UHFFFAOYSA-N
Compound name
benzyl N-[(4-bromophenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

319.02078 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.02806 165.1
[M+Na]+ 342.01000 174.0
[M-H]- 318.01350 173.7
[M+NH4]+ 337.05460 182.5
[M+K]+ 357.98394 162.3
[M+H-H2O]+ 302.01804 163.1
[M+HCOO]- 364.01898 187.0
[M+CH3COO]- 378.03463 202.8
[M+Na-2H]- 339.99545 171.6
[M]+ 319.02023 184.0
[M]- 319.02133 184.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe