CID 89029

21742-26-7

Structural Information

Molecular Formula

C₈H₅ClN₂O

SMILES

C1=CC=C(C(=C1)C(=NO)C#N)Cl

InChI

InChI=1S/C8H5ClN2O/c9-7-4-2-1-3-6(7)8(5-10)11-12/h1-4,12H

InChIKey

IUROYCYHNOGWHM-UHFFFAOYSA-N

Compound name

2-(2-chlorophenyl)-2-hydroxyiminoacetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 180.00903 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]+	181.016306	138.4
[M+Na]+	202.998248	149.2
[M-H]-	179.001754	141.8
[M+NH4]+	198.042853	156.9
[M+K]+	218.972188	144.8
[M+H-H2O]+	163.006290	127.1
[M+HCOO]-	225.007231	155.8
[M+CH3COO]-	239.022881	192.9
[M+Na-2H]-	200.983696	144.2
[M]+	180.00848142	134.3
[M]-	180.00957858	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe