CID 137951545

2-cyano-2-cyclopropylethane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C6H8FNO2S
SMILES
C1CC1C(CS(=O)(=O)F)C#N
InChI
InChI=1S/C6H8FNO2S/c7-11(9,10)4-6(3-8)5-1-2-5/h5-6H,1-2,4H2
InChIKey
XJMISZTUYMVXRM-UHFFFAOYSA-N
Compound name
2-cyano-2-cyclopropylethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.02597 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.03325 132.2
[M+Na]+ 200.01519 147.2
[M-H]- 176.01869 138.0
[M+NH4]+ 195.05979 148.2
[M+K]+ 215.98913 142.6
[M+H-H2O]+ 160.02323 122.3
[M+HCOO]- 222.02417 147.3
[M+CH3COO]- 236.03982 192.3
[M+Na-2H]- 198.00064 137.2
[M]+ 177.02542 132.6
[M]- 177.02652 132.6
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.