CID 139026698

1-cyanocyclobutane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C5H6FNO2S
SMILES
C1CC(C1)(C#N)S(=O)(=O)F
InChI
InChI=1S/C5H6FNO2S/c6-10(8,9)5(4-7)2-1-3-5/h1-3H2
InChIKey
WROKAKFEBDKCFE-UHFFFAOYSA-N
Compound name
1-cyanocyclobutane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.01033 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.01761 127.8
[M+Na]+ 185.99955 136.3
[M-H]- 162.00305 131.1
[M+NH4]+ 181.04415 142.6
[M+K]+ 201.97349 139.0
[M+H-H2O]+ 146.00759 112.4
[M+HCOO]- 208.00853 140.3
[M+CH3COO]- 222.02418 188.3
[M+Na-2H]- 183.98500 132.9
[M]+ 163.00978 131.0
[M]- 163.01088 131.0
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.