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 149.7
[M+Na]+ 302.95229 160.2
[M-H]- 278.95579 157.2
[M+NH4]+ 297.99689 162.1
[M+K]+ 318.92623 154.4
[M+H-H2O]+ 262.96033 144.6
[M+HCOO]- 324.96127 158.2
[M+CH3COO]- 338.97692 192.0
[M+Na-2H]- 300.93774 154.0
[M]+ 279.96252 157.1
[M]- 279.96362 157.1
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.