CID 15857778

287974-84-9

Structural Information

Molecular Formula
C24H19F3O2
SMILES
C1C(CC(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OCC4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C24H19F3O2/c25-24(26,27)20-9-5-16(6-10-20)15-29-21-11-7-17(8-12-21)19-13-18-3-1-2-4-22(18)23(28)14-19/h1-12,19H,13-15H2
InChIKey
QCFZPMDOLGHKIH-UHFFFAOYSA-N
Compound name
3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.13373 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.14101 195.2
[M+Na]+ 419.12295 202.4
[M-H]- 395.12645 201.2
[M+NH4]+ 414.16755 206.7
[M+K]+ 435.09689 195.2
[M+H-H2O]+ 379.13099 182.4
[M+HCOO]- 441.13193 209.7
[M+CH3COO]- 455.14758 221.9
[M+Na-2H]- 417.10840 196.9
[M]+ 396.13318 190.5
[M]- 396.13428 190.5
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

No patent data available for this compound.