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: 5
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]+	243.996766	144.2
[M+Na]+	265.978708	153.8
[M-H]-	241.982214	150.1
[M+NH4]+	261.023313	164.8
[M+K]+	281.952648	143.4
[M+H-H2O]+	225.986750	143.4
[M+HCOO]-	287.987691	166.7
[M+CH3COO]-	302.003341	188.9
[M+Na-2H]-	263.964156	152.2
[M]+	242.98894142	163.1
[M]-	242.99003858	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe