CID 77160

9,10-dibenzylanthracene

Structural Information

Molecular Formula
C28H22
SMILES
C1=CC=C(C=C1)CC2=C3C=CC=CC3=C(C4=CC=CC=C42)CC5=CC=CC=C5
InChI
InChI=1S/C28H22/c1-3-11-21(12-4-1)19-27-23-15-7-9-17-25(23)28(20-22-13-5-2-6-14-22)26-18-10-8-16-24(26)27/h1-18H,19-20H2
InChIKey
FMVRRCDBALUUBI-UHFFFAOYSA-N
Compound name
9,10-dibenzylanthracene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

43
Patents

358.17215 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17943 190.0
[M+Na]+ 381.16137 197.9
[M-H]- 357.16487 200.6
[M+NH4]+ 376.20597 203.5
[M+K]+ 397.13531 188.7
[M+H-H2O]+ 341.16941 178.5
[M+HCOO]- 403.17035 210.8
[M+CH3COO]- 417.18600 200.1
[M+Na-2H]- 379.14682 196.8
[M]+ 358.17160 190.0
[M]- 358.17270 190.0
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