CID 9574711

3-chloro-1-(4-chlorophenyl)-1,2-propanedione, 1-oxime

Structural Information

Molecular Formula
C9H7Cl2NO2
SMILES
C1=CC(=CC=C1/C(=N/O)/C(=O)CCl)Cl
InChI
InChI=1S/C9H7Cl2NO2/c10-5-8(13)9(12-14)6-1-3-7(11)4-2-6/h1-4,14H,5H2/b12-9-
InChIKey
ZPXDKWYCMWFAQC-XFXZXTDPSA-N
Compound name
(1Z)-3-chloro-1-(4-chlorophenyl)-1-hydroxyiminopropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.98538 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.99266 144.0
[M+Na]+ 253.97460 152.7
[M-H]- 229.97810 147.2
[M+NH4]+ 249.01920 162.9
[M+K]+ 269.94854 148.0
[M+H-H2O]+ 213.98264 140.0
[M+HCOO]- 275.98358 158.9
[M+CH3COO]- 289.99923 189.1
[M+Na-2H]- 251.96005 148.1
[M]+ 230.98483 146.9
[M]- 230.98593 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.