CID 68033

3-fluoropropane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C3H6F2O2S
SMILES
C(CF)CS(=O)(=O)F
InChI
InChI=1S/C3H6F2O2S/c4-2-1-3-8(5,6)7/h1-3H2
InChIKey
QWNOXXWLUNRPEX-UHFFFAOYSA-N
Compound name
3-fluoropropane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

144.00566 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.01294 120.7
[M+Na]+ 166.99488 129.9
[M-H]- 142.99838 119.0
[M+NH4]+ 162.03948 142.6
[M+K]+ 182.96882 128.6
[M+H-H2O]+ 127.00292 114.9
[M+HCOO]- 189.00386 137.1
[M+CH3COO]- 203.01951 170.1
[M+Na-2H]- 164.98033 125.2
[M]+ 144.00511 121.5
[M]- 144.00621 121.5
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