CID 264401

9-benzylanthracene

Structural Information

Molecular Formula
C21H16
SMILES
C1=CC=C(C=C1)CC2=C3C=CC=CC3=CC4=CC=CC=C42
InChI
InChI=1S/C21H16/c1-2-8-16(9-3-1)14-21-19-12-6-4-10-17(19)15-18-11-5-7-13-20(18)21/h1-13,15H,14H2
InChIKey
OMKKTUHEEREHJB-UHFFFAOYSA-N
Compound name
9-benzylanthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

91
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 162.4
[M+Na]+ 291.11442 182.7
[M+NH4]+ 286.15902 174.6
[M+K]+ 307.08836 170.2
[M-H]- 267.11792 171.1
[M+Na-2H]- 289.09987 175.6
[M]+ 268.12465 168.4
[M]- 268.12575 168.4
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