CID 119031494

1807887-98-4

Structural Information

Molecular Formula
C10H16ClFO4S
SMILES
CCOC(=O)C1CCC(CC1)(CS(=O)(=O)Cl)F
InChI
InChI=1S/C10H16ClFO4S/c1-2-16-9(13)8-3-5-10(12,6-4-8)7-17(11,14)15/h8H,2-7H2,1H3
InChIKey
JQYBQMFDZDQZGN-UHFFFAOYSA-N
Compound name
ethyl 4-(chlorosulfonylmethyl)-4-fluorocyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0442 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05148 155.7
[M+Na]+ 309.03342 162.6
[M-H]- 285.03692 157.6
[M+NH4]+ 304.07802 174.6
[M+K]+ 325.00736 159.5
[M+H-H2O]+ 269.04146 151.6
[M+HCOO]- 331.04240 163.8
[M+CH3COO]- 345.05805 192.5
[M+Na-2H]- 307.01887 157.7
[M]+ 286.04365 158.1
[M]- 286.04475 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.