CID 145913545

(3-oxocyclobutyl)methanesulfonyl fluoride

Structural Information

Molecular Formula
C5H7FO3S
SMILES
C1C(CC1=O)CS(=O)(=O)F
InChI
InChI=1S/C5H7FO3S/c6-10(8,9)3-4-1-5(7)2-4/h4H,1-3H2
InChIKey
HXTMPQIQBIQQKW-UHFFFAOYSA-N
Compound name
(3-oxocyclobutyl)methanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.01 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.017276 123.3
[M+Na]+ 188.999218 130.2
[M-H]- 165.002724 125.8
[M+NH4]+ 184.043823 137.6
[M+K]+ 204.973158 131.9
[M+H-H2O]+ 149.007260 112.4
[M+HCOO]- 211.008201 138.9
[M+CH3COO]- 225.023851 177.1
[M+Na-2H]- 186.984666 126.8
[M]+ 166.00945142 132.8
[M]- 166.01054858 132.8
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.