CID 138989239

3-cyanocyclopentane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C6H8FNO2S
SMILES
C1CC(CC1C#N)S(=O)(=O)F
InChI
InChI=1S/C6H8FNO2S/c7-11(9,10)6-2-1-5(3-6)4-8/h5-6H,1-3H2
InChIKey
WHHPTLHPFJYXOM-UHFFFAOYSA-N
Compound name
3-cyanocyclopentane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.02597 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.03325 139.1
[M+Na]+ 200.01519 149.8
[M-H]- 176.01869 142.2
[M+NH4]+ 195.05979 159.5
[M+K]+ 215.98913 147.6
[M+H-H2O]+ 160.02323 127.4
[M+HCOO]- 222.02417 152.4
[M+CH3COO]- 236.03982 187.6
[M+Na-2H]- 198.00064 140.7
[M]+ 177.02542 133.6
[M]- 177.02652 133.6
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.