CID 9887884

160588-45-4

Structural Information

Molecular Formula
C26H18F2N2O
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2(CC4=CC(=NC=C4)F)CC5=CC(=NC=C5)F
InChI
InChI=1S/C26H18F2N2O/c27-23-13-17(9-11-29-23)15-26(16-18-10-12-30-24(28)14-18)21-7-3-1-5-19(21)25(31)20-6-2-4-8-22(20)26/h1-14H,15-16H2
InChIKey
MUJBUUDUXGDXLW-UHFFFAOYSA-N
Compound name
10,10-bis[(2-fluoro-4-pyridinyl)methyl]anthracen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

183
Patents

412.13873 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.146006 204.1
[M+Na]+ 435.127948 214.1
[M-H]- 411.131454 209.9
[M+NH4]+ 430.172553 214.8
[M+K]+ 451.101888 204.4
[M+H-H2O]+ 395.135990 188.4
[M+HCOO]- 457.136931 218.4
[M+CH3COO]- 471.152581 212.1
[M+Na-2H]- 433.113396 208.2
[M]+ 412.13818142 201.7
[M]- 412.13927858 201.7
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