CID 28663

2,2-dichloro-n-(3,5-dichlorophenyl)acetamide

Structural Information

Molecular Formula
C8H5Cl4NO
SMILES
C1=C(C=C(C=C1Cl)Cl)NC(=O)C(Cl)Cl
InChI
InChI=1S/C8H5Cl4NO/c9-4-1-5(10)3-6(2-4)13-8(14)7(11)12/h1-3,7H,(H,13,14)
InChIKey
SSDPYDABCUKLMX-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-(3,5-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

270.91254 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.91982 150.2
[M+Na]+ 293.90176 159.2
[M-H]- 269.90526 150.8
[M+NH4]+ 288.94636 167.1
[M+K]+ 309.87570 153.5
[M+H-H2O]+ 253.90980 147.9
[M+HCOO]- 315.91074 153.8
[M+CH3COO]- 329.92639 197.4
[M+Na-2H]- 291.88721 151.6
[M]+ 270.91199 151.5
[M]- 270.91309 151.5
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.