CID 83853485

1556223-20-1

Structural Information

Molecular Formula
C9H9ClO4S2
SMILES
C1CC1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H9ClO4S2/c10-16(13,14)9-5-3-8(4-6-9)15(11,12)7-1-2-7/h3-7H,1-2H2
InChIKey
ACPLAZBRSDJBMS-UHFFFAOYSA-N
Compound name
4-cyclopropylsulfonylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.96307 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.97035 166.5
[M+Na]+ 302.95229 179.0
[M+NH4]+ 297.99689 174.4
[M+K]+ 318.92623 171.6
[M-H]- 278.95579 173.9
[M+Na-2H]- 300.93774 173.5
[M]+ 279.96252 172.6
[M]- 279.96362 172.6
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.