CID 3499105

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

Structural Information

Molecular Formula
C9H7Cl4NO
SMILES
CC(C(=O)NC1=C(C=C(C=C1Cl)Cl)Cl)Cl
InChI
InChI=1S/C9H7Cl4NO/c1-4(10)9(15)14-8-6(12)2-5(11)3-7(8)13/h2-4H,1H3,(H,14,15)
InChIKey
YYJAYGFCLLJTMV-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,4,6-trichlorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.92816 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.93544 154.2
[M+Na]+ 307.91738 163.6
[M-H]- 283.92088 155.0
[M+NH4]+ 302.96198 170.9
[M+K]+ 323.89132 157.8
[M+H-H2O]+ 267.92542 152.0
[M+HCOO]- 329.92636 157.5
[M+CH3COO]- 343.94201 201.3
[M+Na-2H]- 305.90283 154.5
[M]+ 284.92761 156.2
[M]- 284.92871 156.2
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.