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 187.9
[M+Na]+ 461.92622 195.4
[M-H]- 437.92972 192.4
[M+NH4]+ 456.97082 199.0
[M+K]+ 477.90016 189.2
[M+H-H2O]+ 421.93426 184.2
[M+HCOO]- 483.93520 183.9
[M+CH3COO]- 497.95085 220.9
[M+Na-2H]- 459.91167 188.1
[M]+ 438.93645 192.8
[M]- 438.93755 192.8
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

patents stripe