CID 3025326

2,2,3,3-tetrafluorohexahydro-4,7-methanobenzothiophene

Structural Information

Molecular Formula
C9H8F4S
SMILES
C1CC2CC1C3=C2SC(C3(F)F)(F)F
InChI
InChI=1S/C9H8F4S/c10-8(11)6-4-1-2-5(3-4)7(6)14-9(8,12)13/h4-5H,1-3H2
InChIKey
OIKLMTNRXSKHRL-UHFFFAOYSA-N
Compound name
4,4,5,5-tetrafluoro-3-thiatricyclo[5.2.1.02,6]dec-2(6)-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02829 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03557 140.6
[M+Na]+ 247.01751 153.5
[M-H]- 223.02101 140.9
[M+NH4]+ 242.06211 171.8
[M+K]+ 262.99145 149.3
[M+H-H2O]+ 207.02555 136.1
[M+HCOO]- 269.02649 153.7
[M+CH3COO]- 283.04214 154.4
[M+Na-2H]- 245.00296 141.2
[M]+ 224.02774 139.0
[M]- 224.02884 139.0
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.