CID 69318

Phenylcyanamide

Structural Information

Molecular Formula

C₇H₆N₂

SMILES

C1=CC=C(C=C1)NC#N

InChI

InChI=1S/C7H6N2/c8-6-9-7-4-2-1-3-5-7/h1-5,9H

InChIKey

JLXXLCJERIYMQG-UHFFFAOYSA-N

Compound name

phenylcyanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1096
Patents: 118.0531 Da
Monoisotopic Mass: 1.9
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]+	119.06038	124.0
[M+Na]+	141.04232	133.6
[M-H]-	117.04582	127.3
[M+NH4]+	136.08692	143.9
[M+K]+	157.01626	130.9
[M+H-H2O]+	101.05036	112.0
[M+HCOO]-	163.05130	146.3
[M+CH3COO]-	177.06695	184.7
[M+Na-2H]-	139.02777	132.8
[M]+	118.05255	117.5
[M]-	118.05365	117.5

Literature stripe

literature stripe

Patent stripe

patents stripe