CID 43523001

1154979-84-6

Structural Information

Molecular Formula
C8H7ClO4S2
SMILES
C1C(C2=CC=CC=C2S1(=O)=O)S(=O)(=O)Cl
InChI
InChI=1S/C8H7ClO4S2/c9-15(12,13)8-5-14(10,11)7-4-2-1-3-6(7)8/h1-4,8H,5H2
InChIKey
JBUKOSFZXFIOAW-UHFFFAOYSA-N
Compound name
1,1-dioxo-2,3-dihydro-1-benzothiophene-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.94742 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.95470 151.4
[M+Na]+ 288.93664 163.7
[M-H]- 264.94014 156.9
[M+NH4]+ 283.98124 174.5
[M+K]+ 304.91058 158.7
[M+H-H2O]+ 248.94468 149.5
[M+HCOO]- 310.94562 160.3
[M+CH3COO]- 324.96127 185.7
[M+Na-2H]- 286.92209 156.3
[M]+ 265.94687 158.1
[M]- 265.94797 158.1
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.