CID 71755805

2,7-dimethyl-1-benzothiophene-3-sulfonyl chloride

Structural Information

Molecular Formula
C10H9ClO2S2
SMILES
CC1=C2C(=CC=C1)C(=C(S2)C)S(=O)(=O)Cl
InChI
InChI=1S/C10H9ClO2S2/c1-6-4-3-5-8-9(6)14-7(2)10(8)15(11,12)13/h3-5H,1-2H3
InChIKey
VXBWPGNKBVFCRZ-UHFFFAOYSA-N
Compound name
2,7-dimethyl-1-benzothiophene-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.97324 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.98052 155.9
[M+Na]+ 282.96246 169.7
[M+NH4]+ 278.00706 165.7
[M+K]+ 298.93640 160.4
[M-H]- 258.96596 158.1
[M+Na-2H]- 280.94791 160.8
[M]+ 259.97269 159.9
[M]- 259.97379 159.9
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.