CID 69586

9-benzhydrylidene-10-anthrone

Structural Information

Molecular Formula
C27H18O
SMILES
C1=CC=C(C=C1)C(=C2C3=CC=CC=C3C(=O)C4=CC=CC=C42)C5=CC=CC=C5
InChI
InChI=1S/C27H18O/c28-27-23-17-9-7-15-21(23)26(22-16-8-10-18-24(22)27)25(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-18H
InChIKey
SPOJSTUMWGMCFP-UHFFFAOYSA-N
Compound name
10-benzhydrylideneanthracen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

358.13577 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.14305 187.6
[M+Na]+ 381.12499 194.0
[M-H]- 357.12849 197.9
[M+NH4]+ 376.16959 200.7
[M+K]+ 397.09893 185.5
[M+H-H2O]+ 341.13303 176.5
[M+HCOO]- 403.13397 205.7
[M+CH3COO]- 417.14962 197.0
[M+Na-2H]- 379.11044 192.1
[M]+ 358.13522 184.0
[M]- 358.13632 184.0
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