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]+ 145.012936 120.7
[M+Na]+ 166.994878 129.9
[M-H]- 142.998384 119.0
[M+NH4]+ 162.039483 142.6
[M+K]+ 182.968818 128.6
[M+H-H2O]+ 127.002920 114.9
[M+HCOO]- 189.003861 137.1
[M+CH3COO]- 203.019511 170.1
[M+Na-2H]- 164.980326 125.2
[M]+ 144.00511142 121.5
[M]- 144.00620858 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