CID 139363291

4-methylcyclohexane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C7H13FO2S
SMILES
CC1CCC(CC1)S(=O)(=O)F
InChI
InChI=1S/C7H13FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h6-7H,2-5H2,1H3
InChIKey
LCKZFOWVSUKAEI-UHFFFAOYSA-N
Compound name
4-methylcyclohexane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

180.06203 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06931 134.2
[M+Na]+ 203.05125 141.2
[M-H]- 179.05475 136.3
[M+NH4]+ 198.09585 154.7
[M+K]+ 219.02519 139.3
[M+H-H2O]+ 163.05929 128.5
[M+HCOO]- 225.06023 148.0
[M+CH3COO]- 239.07588 176.8
[M+Na-2H]- 201.03670 136.7
[M]+ 180.06148 131.6
[M]- 180.06258 131.6
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

patents stripe