CID 13721938

Propane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C3H7FO2S
SMILES
CCCS(=O)(=O)F
InChI
InChI=1S/C3H7FO2S/c1-2-3-7(4,5)6/h2-3H2,1H3
InChIKey
ZTYOGLNTEZDFOL-UHFFFAOYSA-N
Compound name
propane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

126.015076 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.02235 118.6
[M+Na]+ 149.00429 127.9
[M-H]- 125.00780 118.4
[M+NH4]+ 144.04890 141.5
[M+K]+ 164.97823 127.1
[M+H-H2O]+ 109.01234 113.9
[M+HCOO]- 171.01328 136.2
[M+CH3COO]- 185.02893 167.3
[M+Na-2H]- 146.98974 123.7
[M]+ 126.01453 120.6
[M]- 126.01562 120.6
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