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

12
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 163.8
[M+Na]+ 327.04256 173.8
[M-H]- 303.04606 165.2
[M+NH4]+ 322.08716 181.8
[M+K]+ 343.01650 165.9
[M+H-H2O]+ 287.05060 155.0
[M+HCOO]- 349.05154 174.5
[M+CH3COO]- 363.06719 174.5
[M+Na-2H]- 325.02801 167.3
[M]+ 304.05279 160.9
[M]- 304.05389 160.9
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