CID 137949455

2171829-65-3

Structural Information

Molecular Formula
C9H11FO4S2
SMILES
CC(C1=CC=C(C=C1)S(=O)(=O)C)S(=O)(=O)F
InChI
InChI=1S/C9H11FO4S2/c1-7(16(10,13)14)8-3-5-9(6-4-8)15(2,11)12/h3-7H,1-2H3
InChIKey
SJJYFHDOKKORMU-UHFFFAOYSA-N
Compound name
1-(4-methylsulfonylphenyl)ethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.00827 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.01555 158.6
[M+Na]+ 288.99749 167.4
[M+NH4]+ 284.04209 164.3
[M+K]+ 304.97143 160.5
[M-H]- 265.00099 156.2
[M+Na-2H]- 286.98294 161.4
[M]+ 266.00772 159.9
[M]- 266.00882 159.9
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.