CID 520391

Acetamide, 2,2,2-trichloro-n-(4-chlorophenyl)-

Structural Information

Molecular Formula
C8H5Cl4NO
SMILES
C1=CC(=CC=C1NC(=O)C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C8H5Cl4NO/c9-5-1-3-6(4-2-5)13-7(14)8(10,11)12/h1-4H,(H,13,14)
InChIKey
CWUXLDOMGYBJFB-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-N-(4-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.91254 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.91982 152.6
[M+Na]+ 293.90176 161.4
[M-H]- 269.90526 153.2
[M+NH4]+ 288.94636 169.5
[M+K]+ 309.87570 155.6
[M+H-H2O]+ 253.90980 150.0
[M+HCOO]- 315.91074 155.5
[M+CH3COO]- 329.92639 195.3
[M+Na-2H]- 291.88721 156.1
[M]+ 270.91199 153.5
[M]- 270.91309 153.5
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.