CID 80229

N-(2-acetylphenyl)-2,2-dichloroacetamide

Structural Information

Molecular Formula
C10H9Cl2NO2
SMILES
CC(=O)C1=CC=CC=C1NC(=O)C(Cl)Cl
InChI
InChI=1S/C10H9Cl2NO2/c1-6(14)7-4-2-3-5-8(7)13-10(15)9(11)12/h2-5,9H,1H3,(H,13,15)
InChIKey
RXPVDFOFHSWFKA-UHFFFAOYSA-N
Compound name
N-(2-acetylphenyl)-2,2-dichloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.00104 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.00832 148.0
[M+Na]+ 267.99026 156.1
[M-H]- 243.99376 151.3
[M+NH4]+ 263.03486 166.4
[M+K]+ 283.96420 151.7
[M+H-H2O]+ 227.99830 144.1
[M+HCOO]- 289.99924 161.8
[M+CH3COO]- 304.01489 192.9
[M+Na-2H]- 265.97571 150.6
[M]+ 245.00049 150.8
[M]- 245.00159 150.8
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.