CID 15535876

190394-25-3

Structural Information

Molecular Formula
C17H14F6S2
SMILES
CC1=CC(=C(S1)C)C2=C(C(C(C2(F)F)(F)F)(F)F)C3=C(SC(=C3)C)C
InChI
InChI=1S/C17H14F6S2/c1-7-5-11(9(3)24-7)13-14(12-6-8(2)25-10(12)4)16(20,21)17(22,23)15(13,18)19/h5-6H,1-4H3
InChIKey
TWYKYBTVPCIVEN-UHFFFAOYSA-N
Compound name
3-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-dimethylthiophene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

37
Patents

396.0441 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.05138 163.0
[M+Na]+ 419.03332 179.9
[M-H]- 395.03682 168.4
[M+NH4]+ 414.07792 187.8
[M+K]+ 435.00726 172.9
[M+H-H2O]+ 379.04136 157.3
[M+HCOO]- 441.04230 174.1
[M+CH3COO]- 455.05795 176.5
[M+Na-2H]- 417.01877 158.5
[M]+ 396.04355 166.4
[M]- 396.04465 166.4
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.