CID 103802

2,2,2-trifluoro-1-(9-anthryl)ethanol

Structural Information

Molecular Formula
C16H11F3O
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(C(F)(F)F)O
InChI
InChI=1S/C16H11F3O/c17-16(18,19)15(20)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15,20H
InChIKey
ICZHJFWIOPYQCA-UHFFFAOYSA-N
Compound name
1-anthracen-9-yl-2,2,2-trifluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

756
Patents

276.0762 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08348 158.2
[M+Na]+ 299.06542 168.2
[M-H]- 275.06892 158.9
[M+NH4]+ 294.11002 175.9
[M+K]+ 315.03936 162.0
[M+H-H2O]+ 259.07346 149.3
[M+HCOO]- 321.07440 174.3
[M+CH3COO]- 335.09005 197.8
[M+Na-2H]- 297.05087 165.6
[M]+ 276.07565 155.3
[M]- 276.07675 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe