CID 853726

N-(3-bromophenyl)furan-2-carboxamide

Structural Information

Molecular Formula

C₁₁H₈BrNO₂

SMILES

C1=CC(=CC(=C1)Br)NC(=O)C2=CC=CO2

InChI

InChI=1S/C11H8BrNO2/c12-8-3-1-4-9(7-8)13-11(14)10-5-2-6-15-10/h1-7H,(H,13,14)

InChIKey

LEMAIDTUROCEKC-UHFFFAOYSA-N

Compound name

N-(3-bromophenyl)furan-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 264.97385 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]+	265.981126	151.9
[M+Na]+	287.963068	162.7
[M-H]-	263.966574	162.0
[M+NH4]+	283.007673	172.0
[M+K]+	303.937008	152.9
[M+H-H2O]+	247.971110	151.2
[M+HCOO]-	309.972051	175.1
[M+CH3COO]-	323.987701	192.1
[M+Na-2H]-	285.948516	158.9
[M]+	264.97330142	170.9
[M]-	264.97439858	170.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.