CID 3686662

2-chloro-n-[1-(3,4-dichlorophenyl)ethyl]acetamide

Structural Information

Molecular Formula
C10H10Cl3NO
SMILES
CC(C1=CC(=C(C=C1)Cl)Cl)NC(=O)CCl
InChI
InChI=1S/C10H10Cl3NO/c1-6(14-10(15)5-11)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H,14,15)
InChIKey
IGSLPFRVZBFLCQ-UHFFFAOYSA-N
Compound name
2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

264.9828 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.990076 152.5
[M+Na]+ 287.972018 161.4
[M-H]- 263.975524 154.6
[M+NH4]+ 283.016623 170.4
[M+K]+ 303.945958 155.6
[M+H-H2O]+ 247.980060 149.4
[M+HCOO]- 309.981001 161.2
[M+CH3COO]- 323.996651 197.3
[M+Na-2H]- 285.957466 154.4
[M]+ 264.98225142 155.5
[M]- 264.98334858 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.