CID 28720

Dibenzothiophene, 2-(m-trifluoromethylbenzoyl)-

Structural Information

Molecular Formula
C20H11F3OS
SMILES
C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C(=O)C4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C20H11F3OS/c21-20(22,23)14-5-3-4-12(10-14)19(24)13-8-9-18-16(11-13)15-6-1-2-7-17(15)25-18/h1-11H
InChIKey
BUSWROKLCOZQHR-UHFFFAOYSA-N
Compound name
dibenzothiophen-2-yl-[3-(trifluoromethyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.04828 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.05556 179.4
[M+Na]+ 379.03750 190.9
[M-H]- 355.04100 185.0
[M+NH4]+ 374.08210 196.9
[M+K]+ 395.01144 183.5
[M+H-H2O]+ 339.04554 170.3
[M+HCOO]- 401.04648 193.3
[M+CH3COO]- 415.06213 190.7
[M+Na-2H]- 377.02295 181.8
[M]+ 356.04773 180.7
[M]- 356.04883 180.7
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