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

1
Patents

180.02565 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.032926 131.9
[M+Na]+ 203.014868 139.5
[M-H]- 179.018374 134.2
[M+NH4]+ 198.059473 152.3
[M+K]+ 218.988808 137.7
[M+H-H2O]+ 163.022910 126.4
[M+HCOO]- 225.023851 146.5
[M+CH3COO]- 239.039501 174.9
[M+Na-2H]- 201.000316 135.1
[M]+ 180.02510142 129.7
[M]- 180.02619858 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

patents stripe