CID 57470

Brn 2670792

Structural Information

Molecular Formula
C9H9Cl3N2O3S2
SMILES
CC(=O)N(SC(Cl)(Cl)Cl)S(=O)(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C9H9Cl3N2O3S2/c1-6(15)14(18-9(10,11)12)19(16,17)8-4-2-7(13)3-5-8/h2-5H,13H2,1H3
InChIKey
RIMDANRSXVIWIN-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)sulfonyl-N-(trichloromethylsulfanyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.91202 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.91930 183.9
[M+Na]+ 384.90124 192.7
[M+NH4]+ 379.94584 190.1
[M+K]+ 400.87518 184.6
[M-H]- 360.90474 183.6
[M+Na-2H]- 382.88669 186.7
[M]+ 361.91147 186.5
[M]- 361.91257 186.5
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.