CID 54355010

28973-34-4

Structural Information

Molecular Formula
C17H11F3S
SMILES
C=CC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F
InChI
InChI=1S/C17H11F3S/c1-2-5-12-13-6-3-4-7-15(13)21-16-9-8-11(10-14(12)16)17(18,19)20/h2-10H,1H2
InChIKey
UIMQNVZBCXVRPK-UHFFFAOYSA-N
Compound name
9-prop-2-enylidene-2-(trifluoromethyl)thioxanthene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

304.05334 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06062 167.4
[M+Na]+ 327.04256 179.0
[M+NH4]+ 322.08716 175.2
[M+K]+ 343.01650 168.8
[M-H]- 303.04606 166.9
[M+Na-2H]- 325.02801 171.8
[M]+ 304.05279 169.4
[M]- 304.05389 169.4
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

patents stripe