CID 407494

4-chloro-n-(2-chlorophenyl)-3-oxobutanamide

Structural Information

Molecular Formula
C10H9Cl2NO2
SMILES
C1=CC=C(C(=C1)NC(=O)CC(=O)CCl)Cl
InChI
InChI=1S/C10H9Cl2NO2/c11-6-7(14)5-10(15)13-9-4-2-1-3-8(9)12/h1-4H,5-6H2,(H,13,15)
InChIKey
OMZUSMXJSPFYOY-UHFFFAOYSA-N
Compound name
4-chloro-N-(2-chlorophenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

245.00104 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.00832 148.6
[M+Na]+ 267.99026 157.0
[M-H]- 243.99376 151.7
[M+NH4]+ 263.03486 167.0
[M+K]+ 283.96420 152.0
[M+H-H2O]+ 227.99830 144.4
[M+HCOO]- 289.99924 163.2
[M+CH3COO]- 304.01489 192.0
[M+Na-2H]- 265.97571 152.3
[M]+ 245.00049 151.9
[M]- 245.00159 151.9
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

patents stripe