CID 11077056

Methyl 2-(((trifluoromethyl)sulfonyl)oxy)cyclohex-1-enecarboxylate

Structural Information

Molecular Formula
C9H11F3O5S
SMILES
COC(=O)C1=C(CCCC1)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C9H11F3O5S/c1-16-8(13)6-4-2-3-5-7(6)17-18(14,15)9(10,11)12/h2-5H2,1H3
InChIKey
ROJQBRZVYZOCNE-UHFFFAOYSA-N
Compound name
methyl 2-(trifluoromethylsulfonyloxy)cyclohexene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

288.02792 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.03520 154.6
[M+Na]+ 311.01714 161.7
[M-H]- 287.02064 154.0
[M+NH4]+ 306.06174 170.3
[M+K]+ 326.99108 160.2
[M+H-H2O]+ 271.02518 146.7
[M+HCOO]- 333.02612 165.4
[M+CH3COO]- 347.04177 193.2
[M+Na-2H]- 309.00259 156.7
[M]+ 288.02737 154.1
[M]- 288.02847 154.1
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

patents stripe