CID 5122785

Di(naphthalen-1-yl)methanone

Structural Information

Molecular Formula
C21H14O
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C21H14O/c22-21(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKey
AZRQQTKALKINGP-UHFFFAOYSA-N
Compound name
dinaphthalen-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1863
Patents

282.10446 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11174 164.6
[M+Na]+ 305.09368 184.1
[M+NH4]+ 300.13828 175.9
[M+K]+ 321.06762 172.8
[M-H]- 281.09718 172.4
[M+Na-2H]- 303.07913 176.9
[M]+ 282.10391 170.1
[M]- 282.10501 170.1
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