CID 5383541

Cycloocta(b)thiophene, 2,3,3a,4,5,8,9,9a-octahydro-2,2,3,3-tetrafluoro-

Structural Information

Molecular Formula
C10H12F4S
SMILES
C/1CC2C(CC/C=C1)SC(C2(F)F)(F)F
InChI
InChI=1S/C10H12F4S/c11-9(12)7-5-3-1-2-4-6-8(7)15-10(9,13)14/h1-2,7-8H,3-6H2/b2-1-
InChIKey
CACOAUUEYJRRHA-UPHRSURJSA-N
Compound name
(6Z)-2,2,3,3-tetrafluoro-3a,4,5,8,9,9a-hexahydrocycloocta[b]thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.05959 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.066866 166.7
[M+Na]+ 263.048808 172.5
[M-H]- 239.052314 166.6
[M+NH4]+ 258.093413 177.7
[M+K]+ 279.022748 171.5
[M+H-H2O]+ 223.056850 162.1
[M+HCOO]- 285.057791 171.1
[M+CH3COO]- 299.073441 170.5
[M+Na-2H]- 261.034256 163.7
[M]+ 240.05904142 163.6
[M]- 240.06013858 163.6
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

No patent data available for this compound.