CID 120999

2h-1-benzothiopyran-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide

Structural Information

Molecular Formula
C9H10ClNO4S2
SMILES
C1CC2=CC(=C(C=C2S(=O)(=O)C1)S(=O)(=O)N)Cl
InChI
InChI=1S/C9H10ClNO4S2/c10-7-4-6-2-1-3-16(12,13)8(6)5-9(7)17(11,14)15/h4-5H,1-3H2,(H2,11,14,15)
InChIKey
GRAGXRZKBKQUAI-UHFFFAOYSA-N
Compound name
6-chloro-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.97397 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.98125 154.7
[M+Na]+ 317.96319 164.8
[M-H]- 293.96669 158.6
[M+NH4]+ 313.00779 174.0
[M+K]+ 333.93713 159.0
[M+H-H2O]+ 277.97123 151.7
[M+HCOO]- 339.97217 161.1
[M+CH3COO]- 353.98782 194.7
[M+Na-2H]- 315.94864 160.2
[M]+ 294.97342 158.0
[M]- 294.97452 158.0
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.