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]+ 187.022356 132.7
[M+Na]+ 209.004298 142.8
[M-H]- 185.007804 135.9
[M+NH4]+ 204.048903 153.2
[M+K]+ 224.978238 139.3
[M+H-H2O]+ 169.012340 126.8
[M+HCOO]- 231.013281 150.7
[M+CH3COO]- 245.028931 177.8
[M+Na-2H]- 206.989746 137.5
[M]+ 186.01453142 134.0
[M]- 186.01562858 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