CID 111588

2-(p-benzylbenzyl)-9,10-dihydroanthracene

Structural Information

Molecular Formula
C28H24
SMILES
C1C2=C(CC3=CC=CC=C31)C=C(C=C2)CC4=CC=C(C=C4)CC5=CC=CC=C5
InChI
InChI=1S/C28H24/c1-2-6-21(7-3-1)16-22-10-12-23(13-11-22)17-24-14-15-27-19-25-8-4-5-9-26(25)20-28(27)18-24/h1-15,18H,16-17,19-20H2
InChIKey
FPPBVQWDFFKYBB-UHFFFAOYSA-N
Compound name
2-[(4-benzylphenyl)methyl]-9,10-dihydroanthracene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

360.1878 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.19508 190.3
[M+Na]+ 383.17702 196.2
[M-H]- 359.18052 200.1
[M+NH4]+ 378.22162 203.6
[M+K]+ 399.15096 187.3
[M+H-H2O]+ 343.18506 178.8
[M+HCOO]- 405.18600 208.5
[M+CH3COO]- 419.20165 199.4
[M+Na-2H]- 381.16247 195.2
[M]+ 360.18725 187.5
[M]- 360.18835 187.5
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.