CID 31977

Brn 2217432

Structural Information

Molecular Formula
C9H7Cl4NO
SMILES
CN(C1=CC(=C(C=C1Cl)Cl)Cl)C(=O)CCl
InChI
InChI=1S/C9H7Cl4NO/c1-14(9(15)4-10)8-3-6(12)5(11)2-7(8)13/h2-3H,4H2,1H3
InChIKey
BPICYJSGBIOZBI-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-N-(2,4,5-trichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.92816 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.93544 154.5
[M+Na]+ 307.91738 164.3
[M-H]- 283.92088 156.5
[M+NH4]+ 302.96198 171.9
[M+K]+ 323.89132 159.3
[M+H-H2O]+ 267.92542 151.9
[M+HCOO]- 329.92636 159.1
[M+CH3COO]- 343.94201 203.6
[M+Na-2H]- 305.90283 155.2
[M]+ 284.92761 158.2
[M]- 284.92871 158.2
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.