CID 3068217

N-(1-acetoxy-2,2,2-trichloroethyl)benzenesulfonamide

Structural Information

Molecular Formula
C10H10Cl3NO4S
SMILES
CC(=O)OC(C(Cl)(Cl)Cl)NS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C10H10Cl3NO4S/c1-7(15)18-9(10(11,12)13)14-19(16,17)8-5-3-2-4-6-8/h2-6,9,14H,1H3
InChIKey
OKDBWAPSCJVJCT-UHFFFAOYSA-N
Compound name
[1-(benzenesulfonamido)-2,2,2-trichloroethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.9396 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.94688 165.3
[M+Na]+ 367.92882 172.8
[M-H]- 343.93232 168.4
[M+NH4]+ 362.97342 180.1
[M+K]+ 383.90276 168.1
[M+H-H2O]+ 327.93686 162.5
[M+HCOO]- 389.93780 167.3
[M+CH3COO]- 403.95345 202.9
[M+Na-2H]- 365.91427 168.5
[M]+ 344.93905 171.3
[M]- 344.94015 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.