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]+ 149.00672 126.2
[M+Na]+ 170.98866 143.2
[M-H]- 146.99216 131.6
[M+NH4]+ 166.03326 144.8
[M+K]+ 186.96260 138.1
[M+H-H2O]+ 130.99670 118.3
[M+HCOO]- 192.99764 140.2
[M+CH3COO]- 207.01329 182.4
[M+Na-2H]- 168.97411 133.1
[M]+ 147.99889 126.5
[M]- 147.99999 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.