CID 312000

2-bromoethyl n-phenylcarbamate

Structural Information

Molecular Formula

C₉H₁₀BrNO₂

SMILES

C1=CC=C(C=C1)NC(=O)OCCBr

InChI

InChI=1S/C9H10BrNO2/c10-6-7-13-9(12)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)

InChIKey

QVXXUDSODOZFNA-UHFFFAOYSA-N

Compound name

2-bromoethyl N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 242.98949 Da
Monoisotopic Mass: 2.7
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]+	243.99677	144.2
[M+Na]+	265.97871	153.8
[M-H]-	241.98221	150.1
[M+NH4]+	261.02331	164.8
[M+K]+	281.95265	143.4
[M+H-H2O]+	225.98675	143.4
[M+HCOO]-	287.98769	166.7
[M+CH3COO]-	302.00334	188.9
[M+Na-2H]-	263.96416	152.2
[M]+	242.98894	163.1
[M]-	242.99004	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe