CID 57679023

But-3-ene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C4H7FO2S
SMILES
C=CCCS(=O)(=O)F
InChI
InChI=1S/C4H7FO2S/c1-2-3-4-8(5,6)7/h2H,1,3-4H2
InChIKey
RUZOZYRVWBPMHY-UHFFFAOYSA-N
Compound name
but-3-ene-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

138.01508 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.02236 121.9
[M+Na]+ 161.00430 131.1
[M-H]- 137.00780 121.6
[M+NH4]+ 156.04890 144.2
[M+K]+ 176.97824 129.4
[M+H-H2O]+ 121.01234 117.1
[M+HCOO]- 183.01328 139.3
[M+CH3COO]- 197.02893 169.3
[M+Na-2H]- 158.98975 126.5
[M]+ 138.01453 123.6
[M]- 138.01563 123.6
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