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]+ 282.986006 156.4
[M+Na]+ 304.967948 166.1
[M-H]- 280.971454 160.6
[M+NH4]+ 300.012553 173.7
[M+K]+ 320.941888 160.4
[M+H-H2O]+ 264.975990 152.0
[M+HCOO]- 326.976931 164.1
[M+CH3COO]- 340.992581 190.4
[M+Na-2H]- 302.953396 160.0
[M]+ 281.97818142 162.9
[M]- 281.97927858 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.