CID 45050921

853310-83-5

Structural Information

Molecular Formula
C22H16F3NO2
SMILES
COC1=CC2=C(C(=CC(=N2)C3=CC4=CC=CC=C4C=C3)C(F)(F)F)C(=C1)OC
InChI
InChI=1S/C22H16F3NO2/c1-27-16-10-19-21(20(11-16)28-2)17(22(23,24)25)12-18(26-19)15-8-7-13-5-3-4-6-14(13)9-15/h3-12H,1-2H3
InChIKey
KVOAAWJPLSYANN-UHFFFAOYSA-N
Compound name
5,7-dimethoxy-2-naphthalen-2-yl-4-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1133 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.12058 192.4
[M+Na]+ 406.10252 204.0
[M-H]- 382.10602 196.5
[M+NH4]+ 401.14712 205.0
[M+K]+ 422.07646 196.9
[M+H-H2O]+ 366.11056 179.6
[M+HCOO]- 428.11150 208.5
[M+CH3COO]- 442.12715 202.4
[M+Na-2H]- 404.08797 198.0
[M]+ 383.11275 194.2
[M]- 383.11385 194.2
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.