CID 394599

Ethyl 2-(trifluoromethanesulfonyloxy)cyclohex-1-ene-1-carboxylate

Structural Information

Molecular Formula
C10H13F3O5S
SMILES
CCOC(=O)C1=C(CCCC1)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C10H13F3O5S/c1-2-17-9(14)7-5-3-4-6-8(7)18-19(15,16)10(11,12)13/h2-6H2,1H3
InChIKey
VWIUHGUFSGOXDX-UHFFFAOYSA-N
Compound name
ethyl 2-(trifluoromethylsulfonyloxy)cyclohexene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

302.04358 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.05086 159.2
[M+Na]+ 325.03280 165.8
[M-H]- 301.03630 158.4
[M+NH4]+ 320.07740 174.3
[M+K]+ 341.00674 164.1
[M+H-H2O]+ 285.04084 151.1
[M+HCOO]- 347.04178 169.7
[M+CH3COO]- 361.05743 196.2
[M+Na-2H]- 323.01825 160.8
[M]+ 302.04303 159.0
[M]- 302.04413 159.0
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

patents stripe