CID 4615637

N-(4-bromophenyl)cyanoformamide

Structural Information

Molecular Formula

C₈H₅BrN₂O

SMILES

C1=CC(=CC=C1NC(=O)C#N)Br

InChI

InChI=1S/C8H5BrN2O/c9-6-1-3-7(4-2-6)11-8(12)5-10/h1-4H,(H,11,12)

InChIKey

OFDVDYICRIKOTK-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)-1-cyanoformamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 223.95853 Da
Monoisotopic Mass: 2.4
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]+	224.965806	138.1
[M+Na]+	246.947748	150.9
[M-H]-	222.951254	142.6
[M+NH4]+	241.992353	157.2
[M+K]+	262.921688	139.5
[M+H-H2O]+	206.955790	130.8
[M+HCOO]-	268.956731	159.2
[M+CH3COO]-	282.972381	198.4
[M+Na-2H]-	244.933196	145.3
[M]+	223.95798142	149.0
[M]-	223.95907858	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.