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]+ 181.069306 134.2
[M+Na]+ 203.051248 141.2
[M-H]- 179.054754 136.3
[M+NH4]+ 198.095853 154.7
[M+K]+ 219.025188 139.3
[M+H-H2O]+ 163.059290 128.5
[M+HCOO]- 225.060231 148.0
[M+CH3COO]- 239.075881 176.8
[M+Na-2H]- 201.036696 136.7
[M]+ 180.06148142 131.6
[M]- 180.06257858 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