CID 99226

Einecs 244-861-2

Structural Information

Molecular Formula
C9H13NO3S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N=S(=O)(C)C
InChI
InChI=1S/C9H13NO3S2/c1-8-4-6-9(7-5-8)15(12,13)10-14(2,3)11/h4-7H,1-3H3
InChIKey
IRNAWARRPQUZDU-UHFFFAOYSA-N
Compound name
N-[dimethyl(oxo)-lambda6-sulfanylidene]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

247.03369 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.04097 152.0
[M+Na]+ 270.02291 161.0
[M-H]- 246.02641 157.1
[M+NH4]+ 265.06751 170.2
[M+K]+ 285.99685 156.9
[M+H-H2O]+ 230.03095 145.9
[M+HCOO]- 292.03189 166.0
[M+CH3COO]- 306.04754 191.3
[M+Na-2H]- 268.00836 156.4
[M]+ 247.03314 156.2
[M]- 247.03424 156.2
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

patents stripe