CID 4048353

Phenyl n-(4-bromophenyl)carbamate

Structural Information

Molecular Formula

C₁₃H₁₀BrNO₂

SMILES

C1=CC=C(C=C1)OC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H10BrNO2/c14-10-6-8-11(9-7-10)15-13(16)17-12-4-2-1-3-5-12/h1-9H,(H,15,16)

InChIKey

DFVROMJTBLOOGY-UHFFFAOYSA-N

Compound name

phenyl N-(4-bromophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 290.9895 Da
Monoisotopic Mass: 4.0
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]+	291.99678	155.9
[M+Na]+	313.97872	165.6
[M-H]-	289.98222	164.9
[M+NH4]+	309.02332	174.4
[M+K]+	329.95266	154.4
[M+H-H2O]+	273.98676	154.4
[M+HCOO]-	335.98770	178.5
[M+CH3COO]-	350.00335	197.3
[M+Na-2H]-	311.96417	163.5
[M]+	290.98895	174.1
[M]-	290.99005	174.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe