CID 4962280

853574-42-2

Structural Information

Molecular Formula
C10H14N2O4S2
SMILES
C1CS(=O)(=O)CC1NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H14N2O4S2/c11-8-1-3-10(4-2-8)18(15,16)12-9-5-6-17(13,14)7-9/h1-4,9,12H,5-7,11H2
InChIKey
OOBJVZQUYGGPMR-UHFFFAOYSA-N
Compound name
4-amino-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0395 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.04678 160.7
[M+Na]+ 313.02872 168.6
[M-H]- 289.03222 166.4
[M+NH4]+ 308.07332 179.3
[M+K]+ 329.00266 163.7
[M+H-H2O]+ 273.03676 155.6
[M+HCOO]- 335.03770 174.5
[M+CH3COO]- 349.05335 195.9
[M+Na-2H]- 311.01417 164.0
[M]+ 290.03895 160.8
[M]- 290.04005 160.8
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

No patent data available for this compound.