CID 24837265

102571-05-1

Structural Information

Molecular Formula
C7H7F3S
SMILES
C1CC2C(=C(C(S2)(F)F)F)C1
InChI
InChI=1S/C7H7F3S/c8-6-4-2-1-3-5(4)11-7(6,9)10/h5H,1-3H2
InChIKey
UWMKAULMUOISPU-UHFFFAOYSA-N
Compound name
2,2,3-trifluoro-4,5,6,6a-tetrahydrocyclopenta[b]thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.02205 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02933 139.6
[M+Na]+ 203.01127 146.9
[M+NH4]+ 198.05587 148.9
[M+K]+ 218.98521 140.7
[M-H]- 179.01477 137.4
[M+Na-2H]- 200.99672 142.1
[M]+ 180.02150 140.2
[M]- 180.02260 140.2
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.