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: 75
Patents: 319.02078 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	320.028056	165.1
[M+Na]+	342.009998	174.0
[M-H]-	318.013504	173.7
[M+NH4]+	337.054603	182.5
[M+K]+	357.983938	162.3
[M+H-H2O]+	302.018040	163.1
[M+HCOO]-	364.018981	187.0
[M+CH3COO]-	378.034631	202.8
[M+Na-2H]-	339.995446	171.6
[M]+	319.02023142	184.0
[M]-	319.02132858	184.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe