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]+ 167.01728 123.3
[M+Na]+ 188.99922 130.2
[M-H]- 165.00272 125.8
[M+NH4]+ 184.04382 137.6
[M+K]+ 204.97316 131.9
[M+H-H2O]+ 149.00726 112.4
[M+HCOO]- 211.00820 138.9
[M+CH3COO]- 225.02385 177.1
[M+Na-2H]- 186.98467 126.8
[M]+ 166.00945 132.8
[M]- 166.01055 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.