CID 132342179

(thiophen-2-yl)methanesulfonyl fluoride

Structural Information

Molecular Formula
C5H5FO2S2
SMILES
C1=CSC(=C1)CS(=O)(=O)F
InChI
InChI=1S/C5H5FO2S2/c6-10(7,8)4-5-2-1-3-9-5/h1-3H,4H2
InChIKey
OSUYRLHPSOBDCW-UHFFFAOYSA-N
Compound name
thiophen-2-ylmethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.9715 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.97878 132.6
[M+Na]+ 202.96072 143.0
[M-H]- 178.96422 135.6
[M+NH4]+ 198.00532 155.1
[M+K]+ 218.93466 139.8
[M+H-H2O]+ 162.96876 127.3
[M+HCOO]- 224.96970 146.4
[M+CH3COO]- 238.98535 173.7
[M+Na-2H]- 200.94617 134.6
[M]+ 179.97095 134.9
[M]- 179.97205 134.9
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.