CID 93362

Methasulfocarb

Structural Information

Molecular Formula
C9H11NO4S2
SMILES
CNC(=O)SC1=CC=C(C=C1)OS(=O)(=O)C
InChI
InChI=1S/C9H11NO4S2/c1-10-9(11)15-8-5-3-7(4-6-8)14-16(2,12)13/h3-6H,1-2H3,(H,10,11)
InChIKey
IXJOSTZEBSTPAG-UHFFFAOYSA-N
Compound name
[4-(methylcarbamoylsulfanyl)phenyl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17180
Patents

261.01294 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.02022 155.8
[M+Na]+ 284.00216 164.7
[M+NH4]+ 279.04676 162.4
[M+K]+ 299.97610 157.2
[M-H]- 260.00566 156.0
[M+Na-2H]- 281.98761 159.5
[M]+ 261.01239 157.8
[M]- 261.01349 157.8
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

patents stripe