CID 137951542

2-cyanocyclopentane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C6H8FNO2S
SMILES
C1CC(C(C1)S(=O)(=O)F)C#N
InChI
InChI=1S/C6H8FNO2S/c7-11(9,10)6-3-1-2-5(6)4-8/h5-6H,1-3H2
InChIKey
XODOZFYJEIOTCV-UHFFFAOYSA-N
Compound name
2-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]+ 178.033246 139.1
[M+Na]+ 200.015188 149.8
[M-H]- 176.018694 142.2
[M+NH4]+ 195.059793 159.5
[M+K]+ 215.989128 147.6
[M+H-H2O]+ 160.023230 127.4
[M+HCOO]- 222.024171 152.4
[M+CH3COO]- 236.039821 187.6
[M+Na-2H]- 198.000636 140.7
[M]+ 177.02542142 133.6
[M]- 177.02651858 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.