CID 22170138

(e)-4-chloronicotinaldehyde oxime

Structural Information

Molecular Formula

C₆H₅ClN₂O

SMILES

C1=CN=CC(=C1Cl)/C=N/O

InChI

InChI=1S/C6H5ClN2O/c7-6-1-2-8-3-5(6)4-9-10/h1-4,10H/b9-4+

InChIKey

MKJYDOKLIMMJDA-RUDMXATFSA-N

Compound name

(NE)-N-[(4-chloro-3-pyridinyl)methylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 156.00903 Da
Monoisotopic Mass: 1.2
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]+	157.01631	126.6
[M+Na]+	178.99825	136.5
[M-H]-	155.00175	129.3
[M+NH4]+	174.04285	147.1
[M+K]+	194.97219	133.1
[M+H-H2O]+	139.00629	121.1
[M+HCOO]-	201.00723	147.7
[M+CH3COO]-	215.02288	175.1
[M+Na-2H]-	176.98370	135.6
[M]+	156.00848	128.1
[M]-	156.00958	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe