CID 31122

2-chloro-n-(2,4,6-trichlorophenyl)acetamide

Structural Information

Molecular Formula
C8H5Cl4NO
SMILES
C1=C(C=C(C(=C1Cl)NC(=O)CCl)Cl)Cl
InChI
InChI=1S/C8H5Cl4NO/c9-3-7(14)13-8-5(11)1-4(10)2-6(8)12/h1-2H,3H2,(H,13,14)
InChIKey
PXPBIOJVDMLMKK-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,4,6-trichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

270.91254 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.91982 151.0
[M+Na]+ 293.90176 161.0
[M-H]- 269.90526 151.7
[M+NH4]+ 288.94636 168.2
[M+K]+ 309.87570 155.0
[M+H-H2O]+ 253.90980 148.7
[M+HCOO]- 315.91074 155.4
[M+CH3COO]- 329.92639 197.7
[M+Na-2H]- 291.88721 152.7
[M]+ 270.91199 153.0
[M]- 270.91309 153.0
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