CID 6400533

Schembl11452534

Structural Information

Molecular Formula

C₄H₆ClNO₂

SMILES

CC(=NO)C(=O)CCl

InChI

InChI=1S/C4H6ClNO2/c1-3(6-8)4(7)2-5/h8H,2H2,1H3

InChIKey

PHVXNVOGALDGBW-UHFFFAOYSA-N

Compound name

1-chloro-3-hydroxyiminobutan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 135.00871 Da
Monoisotopic Mass: 1.0
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]+	136.015986	123.2
[M+Na]+	157.997928	131.4
[M-H]-	134.001434	123.9
[M+NH4]+	153.042533	145.6
[M+K]+	173.971868	130.0
[M+H-H2O]+	118.005970	119.8
[M+HCOO]-	180.006911	143.1
[M+CH3COO]-	194.022561	172.9
[M+Na-2H]-	155.983376	128.7
[M]+	135.00816142	124.9
[M]-	135.00925858	124.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe