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]+ 241.06687 166.7
[M+Na]+ 263.04881 172.5
[M-H]- 239.05231 166.6
[M+NH4]+ 258.09341 177.7
[M+K]+ 279.02275 171.5
[M+H-H2O]+ 223.05685 162.1
[M+HCOO]- 285.05779 171.1
[M+CH3COO]- 299.07344 170.5
[M+Na-2H]- 261.03426 163.7
[M]+ 240.05904 163.6
[M]- 240.06014 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.