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 129.9
[M+Na]+ 203.01127 140.9
[M-H]- 179.01477 131.4
[M+NH4]+ 198.05587 157.5
[M+K]+ 218.98521 138.1
[M+H-H2O]+ 163.01931 124.4
[M+HCOO]- 225.02025 145.5
[M+CH3COO]- 239.03590 144.1
[M+Na-2H]- 200.99672 130.7
[M]+ 180.02150 127.2
[M]- 180.02260 127.2
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.