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]+ 384.120576 192.4
[M+Na]+ 406.102518 204.0
[M-H]- 382.106024 196.5
[M+NH4]+ 401.147123 205.0
[M+K]+ 422.076458 196.9
[M+H-H2O]+ 366.110560 179.6
[M+HCOO]- 428.111501 208.5
[M+CH3COO]- 442.127151 202.4
[M+Na-2H]- 404.087966 198.0
[M]+ 383.11275142 194.2
[M]- 383.11384858 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.