CID 5391101

Benzaldoxime, 2,4-dichlor0-

Structural Information

Molecular Formula

C₇H₅Cl₂NO

SMILES

C1=CC(=C(C=C1Cl)Cl)/C=N\O

InChI

InChI=1S/C7H5Cl2NO/c8-6-2-1-5(4-10-11)7(9)3-6/h1-4,11H/b10-4-

InChIKey

ONJQBRVMFRQQIG-WMZJFQQLSA-N

Compound name

(NZ)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 95
Patents: 188.97482 Da
Monoisotopic Mass: 2.9
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]+	189.98210	133.3
[M+Na]+	211.96404	144.0
[M-H]-	187.96754	136.8
[M+NH4]+	207.00864	154.4
[M+K]+	227.93798	138.9
[M+H-H2O]+	171.97208	129.7
[M+HCOO]-	233.97302	150.2
[M+CH3COO]-	247.98867	181.5
[M+Na-2H]-	209.94949	140.1
[M]+	188.97427	136.1
[M]-	188.97537	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe