CID 132342283

2-oxocyclohexane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C6H9FO3S
SMILES
C1CCC(=O)C(C1)S(=O)(=O)F
InChI
InChI=1S/C6H9FO3S/c7-11(9,10)6-4-2-1-3-5(6)8/h6H,1-4H2
InChIKey
YENLLXGWXKUJII-UHFFFAOYSA-N
Compound name
2-oxocyclohexane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.02565 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.03293 131.9
[M+Na]+ 203.01487 139.5
[M-H]- 179.01837 134.2
[M+NH4]+ 198.05947 152.3
[M+K]+ 218.98881 137.7
[M+H-H2O]+ 163.02291 126.4
[M+HCOO]- 225.02385 146.5
[M+CH3COO]- 239.03950 174.9
[M+Na-2H]- 201.00032 135.1
[M]+ 180.02510 129.7
[M]- 180.02620 129.7
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.