CID 43453680

1-(ethenesulfonyl)-2-(propane-1-sulfonyl)benzene

Structural Information

Molecular Formula
C11H14O4S2
SMILES
CCCS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C=C
InChI
InChI=1S/C11H14O4S2/c1-3-9-17(14,15)11-8-6-5-7-10(11)16(12,13)4-2/h4-8H,2-3,9H2,1H3
InChIKey
BOHJYSOOYXNTKR-UHFFFAOYSA-N
Compound name
1-ethenylsulfonyl-2-propylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.03336 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04064 159.1
[M+Na]+ 297.02258 167.7
[M-H]- 273.02608 162.5
[M+NH4]+ 292.06718 175.7
[M+K]+ 312.99652 162.4
[M+H-H2O]+ 257.03062 153.2
[M+HCOO]- 319.03156 170.6
[M+CH3COO]- 333.04721 191.7
[M+Na-2H]- 295.00803 162.0
[M]+ 274.03281 163.8
[M]- 274.03391 163.8
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.