CID 93129

Pentachlorobenzaldehyde oxime

Structural Information

Molecular Formula

C₇H₂Cl₅NO

SMILES

C(=NO)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl

InChI

InChI=1S/C7H2Cl5NO/c8-3-2(1-13-14)4(9)6(11)7(12)5(3)10/h1,14H

InChIKey

PNMGPRJUKKTPSV-UHFFFAOYSA-N

Compound name

N-[(2,3,4,5,6-pentachlorophenyl)methylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 290.8579 Da
Monoisotopic Mass: 4.8
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]+	291.86518	156.0
[M+Na]+	313.84712	166.9
[M-H]-	289.85062	155.0
[M+NH4]+	308.89172	171.8
[M+K]+	329.82106	161.3
[M+H-H2O]+	273.85516	154.5
[M+HCOO]-	335.85610	155.6
[M+CH3COO]-	349.87175	202.6
[M+Na-2H]-	311.83257	155.9
[M]+	290.85735	156.6
[M]-	290.85845	156.6

Literature stripe

literature stripe

Patent stripe

patents stripe