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 170.0
[M+Na]+ 384.90124 177.2
[M-H]- 360.90474 173.8
[M+NH4]+ 379.94584 184.3
[M+K]+ 400.87518 171.5
[M+H-H2O]+ 344.90928 167.1
[M+HCOO]- 406.91022 168.1
[M+CH3COO]- 420.92587 209.9
[M+Na-2H]- 382.88669 171.2
[M]+ 361.91147 174.7
[M]- 361.91257 174.7
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.