CID 137942775

2260918-03-2

Structural Information

Molecular Formula
C5H6FNO2S
SMILES
C1C(CC1S(=O)(=O)F)C#N
InChI
InChI=1S/C5H6FNO2S/c6-10(8,9)5-1-4(2-5)3-7/h4-5H,1-2H2
InChIKey
HJXNVZXEHMYEGJ-UHFFFAOYSA-N
Compound name
3-cyanocyclobutane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.01033 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.01761 125.4
[M+Na]+ 185.99955 133.6
[M-H]- 162.00305 128.6
[M+NH4]+ 181.04415 138.7
[M+K]+ 201.97349 136.9
[M+H-H2O]+ 146.00759 108.9
[M+HCOO]- 208.00853 137.9
[M+CH3COO]- 222.02418 189.7
[M+Na-2H]- 183.98500 128.8
[M]+ 163.00978 128.6
[M]- 163.01088 128.6
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.