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]+ 164.017606 127.8
[M+Na]+ 185.999548 136.3
[M-H]- 162.003054 131.1
[M+NH4]+ 181.044153 142.6
[M+K]+ 201.973488 139.0
[M+H-H2O]+ 146.007590 112.4
[M+HCOO]- 208.008531 140.3
[M+CH3COO]- 222.024181 188.3
[M+Na-2H]- 183.984996 132.9
[M]+ 163.00978142 131.0
[M]- 163.01087858 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.