CID 122220996

1692870-12-4

Structural Information

Molecular Formula
C7H7FO5S2
SMILES
CS(=O)(=O)C1=CC=C(C=C1)OS(=O)(=O)F
InChI
InChI=1S/C7H7FO5S2/c1-14(9,10)7-4-2-6(3-5-7)13-15(8,11)12/h2-5H,1H3
InChIKey
OSOIRHOFNJYGET-UHFFFAOYSA-N
Compound name
1-fluorosulfonyloxy-4-methylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.9719 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.97918 148.2
[M+Na]+ 276.96112 157.9
[M-H]- 252.96462 150.8
[M+NH4]+ 272.00572 165.4
[M+K]+ 292.93506 154.2
[M+H-H2O]+ 236.96916 141.8
[M+HCOO]- 298.97010 160.0
[M+CH3COO]- 312.98575 185.5
[M+Na-2H]- 274.94657 152.7
[M]+ 253.97135 152.5
[M]- 253.97245 152.5
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.