CID 4569202

301158-40-7

Structural Information

Molecular Formula
C16H13Cl4NO3S
SMILES
CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H13Cl4NO3S/c1-10-2-4-11(5-3-10)14(22)21-15(16(18,19)20)25(23,24)13-8-6-12(17)7-9-13/h2-9,15H,1H3,(H,21,22)
InChIKey
XUDSJFZMEUOAAV-UHFFFAOYSA-N
Compound name
4-methyl-N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfonylethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.937 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.94428 202.8
[M+Na]+ 461.92622 215.2
[M+NH4]+ 456.97082 209.1
[M+K]+ 477.90016 206.1
[M-H]- 437.92972 204.1
[M+Na-2H]- 459.91167 208.1
[M]+ 438.93645 206.5
[M]- 438.93755 206.5
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.