CID 264401

9-benzyl-anthracene

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

68
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.