CID 132351157

1-ethynylcyclopropane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C5H5FO2S
SMILES
C#CC1(CC1)S(=O)(=O)F
InChI
InChI=1S/C5H5FO2S/c1-2-5(3-4-5)9(6,7)8/h1H,3-4H2
InChIKey
SMGJCHYHPQOUQN-UHFFFAOYSA-N
Compound name
1-ethynylcyclopropane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.99944 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.006716 126.2
[M+Na]+ 170.988658 143.2
[M-H]- 146.992164 131.6
[M+NH4]+ 166.033263 144.8
[M+K]+ 186.962598 138.1
[M+H-H2O]+ 130.996700 118.3
[M+HCOO]- 192.997641 140.2
[M+CH3COO]- 207.013291 182.4
[M+Na-2H]- 168.974106 133.1
[M]+ 147.99889142 126.5
[M]- 147.99998858 126.5
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

No patent data available for this compound.