CID 137935601

2253638-55-8

Structural Information

Molecular Formula
C7H12FNO3S
SMILES
CCN1CC(C1=O)(C)CS(=O)(=O)F
InChI
InChI=1S/C7H12FNO3S/c1-3-9-4-7(2,6(9)10)5-13(8,11)12/h3-5H2,1-2H3
InChIKey
ATTREIICEZVSGJ-UHFFFAOYSA-N
Compound name
(1-ethyl-3-methyl-2-oxoazetidin-3-yl)methanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.05219 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05947 137.3
[M+Na]+ 232.04141 144.7
[M-H]- 208.04491 138.5
[M+NH4]+ 227.08601 150.8
[M+K]+ 248.01535 146.0
[M+H-H2O]+ 192.04945 126.9
[M+HCOO]- 254.05039 150.8
[M+CH3COO]- 268.06604 186.2
[M+Na-2H]- 230.02686 140.4
[M]+ 209.05164 148.6
[M]- 209.05274 148.6
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.