CID 131165678

(3-methyloxetan-3-yl)methanesulfonyl fluoride

Structural Information

Molecular Formula
C5H9FO3S
SMILES
CC1(COC1)CS(=O)(=O)F
InChI
InChI=1S/C5H9FO3S/c1-5(2-9-3-5)4-10(6,7)8/h2-4H2,1H3
InChIKey
UUFYPSGVABTINU-UHFFFAOYSA-N
Compound name
(3-methyloxetan-3-yl)methanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.02565 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.03293 123.1
[M+Na]+ 191.01487 129.7
[M-H]- 167.01837 126.3
[M+NH4]+ 186.05947 138.0
[M+K]+ 206.98881 133.2
[M+H-H2O]+ 151.02291 113.5
[M+HCOO]- 213.02385 137.9
[M+CH3COO]- 227.03950 176.4
[M+Na-2H]- 189.00032 129.8
[M]+ 168.02510 133.8
[M]- 168.02620 133.8
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.