CID 521939

Di-1-naphthylmethane

Structural Information

Molecular Formula
C21H16
SMILES
C1=CC=C2C(=C1)C=CC=C2CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C21H16/c1-3-13-20-16(7-1)9-5-11-18(20)15-19-12-6-10-17-8-2-4-14-21(17)19/h1-14H,15H2
InChIKey
ZMESHQOXZMOOQQ-UHFFFAOYSA-N
Compound name
1-(naphthalen-1-ylmethyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2557
Patents

268.1252 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13248 161.6
[M+Na]+ 291.11442 170.8
[M-H]- 267.11792 170.1
[M+NH4]+ 286.15902 179.7
[M+K]+ 307.08836 163.5
[M+H-H2O]+ 251.12246 152.8
[M+HCOO]- 313.12340 184.3
[M+CH3COO]- 327.13905 174.1
[M+Na-2H]- 289.09987 171.3
[M]+ 268.12465 162.2
[M]- 268.12575 162.2
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