CID 61728804

4-(propane-1-sulfonyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H11ClO4S2
SMILES
CCCS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C9H11ClO4S2/c1-2-7-15(11,12)8-3-5-9(6-4-8)16(10,13)14/h3-6H,2,7H2,1H3
InChIKey
ZWHGSOACWLFGCI-UHFFFAOYSA-N
Compound name
4-propylsulfonylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.97873 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.98601 156.4
[M+Na]+ 304.96795 166.1
[M-H]- 280.97145 160.6
[M+NH4]+ 300.01255 173.7
[M+K]+ 320.94189 160.4
[M+H-H2O]+ 264.97599 152.0
[M+HCOO]- 326.97693 164.1
[M+CH3COO]- 340.99258 190.4
[M+Na-2H]- 302.95340 160.0
[M]+ 281.97818 162.9
[M]- 281.97928 162.9
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.