CID 12397777

Propyl sulfurofluoridate

Structural Information

Molecular Formula
C3H7FO3S
SMILES
CCCOS(=O)(=O)F
InChI
InChI=1S/C3H7FO3S/c1-2-3-7-8(4,5)6/h2-3H2,1H3
InChIKey
AUNWZUQPAFGHFZ-UHFFFAOYSA-N
Compound name
1-fluorosulfonyloxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

142.01 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.017276 121.9
[M+Na]+ 164.999218 131.1
[M-H]- 141.002724 121.7
[M+NH4]+ 160.043823 144.0
[M+K]+ 180.973158 130.6
[M+H-H2O]+ 125.007260 117.0
[M+HCOO]- 187.008201 139.7
[M+CH3COO]- 201.023851 169.3
[M+Na-2H]- 162.984666 127.1
[M]+ 142.00945142 125.4
[M]- 142.01054858 125.4
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