CID 489350

Chembl108617

Structural Information

Molecular Formula
C19H15F3O2
SMILES
CC1=CC2=CC(=C(C=C2C(=C1C3=CC=C(C=C3)C(F)(F)F)C)O)O
InChI
InChI=1S/C19H15F3O2/c1-10-7-13-8-16(23)17(24)9-15(13)11(2)18(10)12-3-5-14(6-4-12)19(20,21)22/h3-9,23-24H,1-2H3
InChIKey
IOAHBGWMDCRODI-UHFFFAOYSA-N
Compound name
5,7-dimethyl-6-[4-(trifluoromethyl)phenyl]naphthalene-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.10242 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.10970 175.6
[M+Na]+ 355.09164 186.6
[M-H]- 331.09514 177.9
[M+NH4]+ 350.13624 190.0
[M+K]+ 371.06558 179.8
[M+H-H2O]+ 315.09968 166.1
[M+HCOO]- 377.10062 190.4
[M+CH3COO]- 391.11627 208.9
[M+Na-2H]- 353.07709 177.7
[M]+ 332.10187 172.8
[M]- 332.10297 172.8
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

No patent data available for this compound.