CID 19936979

705-33-9

Structural Information

Molecular Formula
C8H7FO2S
SMILES
C=CC1=CC=C(C=C1)S(=O)(=O)F
InChI
InChI=1S/C8H7FO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h2-6H,1H2
InChIKey
AANYPNZHPGEIOT-UHFFFAOYSA-N
Compound name
4-ethenylbenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

186.01508 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02236 132.7
[M+Na]+ 209.00430 142.8
[M-H]- 185.00780 135.9
[M+NH4]+ 204.04890 153.2
[M+K]+ 224.97824 139.3
[M+H-H2O]+ 169.01234 126.8
[M+HCOO]- 231.01328 150.7
[M+CH3COO]- 245.02893 177.8
[M+Na-2H]- 206.98975 137.5
[M]+ 186.01453 134.0
[M]- 186.01563 134.0
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

patents stripe