CID 4491847

25203-41-2

Structural Information

Molecular Formula

C₁₂H₁₀BrNO₃

SMILES

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

InChI

InChI=1S/C12H10BrNO3/c13-9-3-5-10(6-4-9)14-12(15)17-8-11-2-1-7-16-11/h1-7H,8H2,(H,14,15)

InChIKey

HSZQFDJPQVGVEE-UHFFFAOYSA-N

Compound name

furan-2-ylmethyl N-(4-bromophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 294.9844 Da
Monoisotopic Mass: 2.8
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]+	295.99168	159.2
[M+Na]+	317.97362	169.5
[M-H]-	293.97712	169.1
[M+NH4]+	313.01822	178.1
[M+K]+	333.94756	160.0
[M+H-H2O]+	277.98166	158.1
[M+HCOO]-	339.98260	182.2
[M+CH3COO]-	353.99825	196.3
[M+Na-2H]-	315.95907	165.7
[M]+	294.98385	179.8
[M]-	294.98495	179.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe