CID 167268

9,10-diphenylanthracene endoperoxide

Structural Information

Molecular Formula
C26H18O2
SMILES
C1=CC=C(C=C1)C23C4=CC=CC=C4C(C5=CC=CC=C52)(OO3)C6=CC=CC=C6
InChI
InChI=1S/C26H18O2/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(28-27-25,20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-18H
InChIKey
BJISIVXXXCICJM-UHFFFAOYSA-N
Compound name
1,8-diphenyl-15,16-dioxatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

25
Patents

362.13068 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13796 180.1
[M+Na]+ 385.11990 186.5
[M-H]- 361.12340 189.5
[M+NH4]+ 380.16450 196.8
[M+K]+ 401.09384 182.5
[M+H-H2O]+ 345.12794 165.3
[M+HCOO]- 407.12888 191.5
[M+CH3COO]- 421.14453 189.4
[M+Na-2H]- 383.10535 192.4
[M]+ 362.13013 182.3
[M]- 362.13123 182.3
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