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 152.2
[M+Na]+ 288.99749 161.0
[M-H]- 265.00099 154.6
[M+NH4]+ 284.04209 169.0
[M+K]+ 304.97143 157.0
[M+H-H2O]+ 249.00553 145.8
[M+HCOO]- 311.00647 162.1
[M+CH3COO]- 325.02212 190.1
[M+Na-2H]- 286.98294 154.7
[M]+ 266.00772 155.4
[M]- 266.00882 155.4
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.