CID 75290

2280-49-1

Structural Information

Molecular Formula
C13H10Cl3NO2S2
SMILES
C1=CC=C(C=C1)N(SC(Cl)(Cl)Cl)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H10Cl3NO2S2/c14-13(15,16)20-17(11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h1-10H
InChIKey
CAXJFBOSFXRPOJ-UHFFFAOYSA-N
Compound name
N-phenyl-N-(trichloromethylsulfanyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

374
Patents

380.92184 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.92912 176.5
[M+Na]+ 403.91106 184.5
[M-H]- 379.91456 183.4
[M+NH4]+ 398.95566 190.6
[M+K]+ 419.88500 178.0
[M+H-H2O]+ 363.91910 172.0
[M+HCOO]- 425.92004 175.5
[M+CH3COO]- 439.93569 210.6
[M+Na-2H]- 401.89651 179.9
[M]+ 380.92129 182.2
[M]- 380.92239 182.2
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

patents stripe