CID 378885

1,1'-binaphthalene, 2-methoxy-

Structural Information

Molecular Formula
C21H16O
SMILES
COC1=C(C2=CC=CC=C2C=C1)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C21H16O/c1-22-20-14-13-16-8-3-5-11-18(16)21(20)19-12-6-9-15-7-2-4-10-17(15)19/h2-14H,1H3
InChIKey
SENNMGJISVPERY-UHFFFAOYSA-N
Compound name
2-methoxy-1-naphthalen-1-ylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

284.12012 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12740 165.7
[M+Na]+ 307.10934 175.6
[M-H]- 283.11284 174.6
[M+NH4]+ 302.15394 183.3
[M+K]+ 323.08328 169.1
[M+H-H2O]+ 267.11738 156.7
[M+HCOO]- 329.11832 188.5
[M+CH3COO]- 343.13397 178.3
[M+Na-2H]- 305.09479 174.6
[M]+ 284.11957 168.1
[M]- 284.12067 168.1
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