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

literature stripe

Patent stripe

patents stripe