CID 264259

Nsc99266

Structural Information

Molecular Formula
C26H22O2
SMILES
CC1=CC=C(C=C1)C2(C3=CC=CC4=C3C(=CC=C4)C2(C5=CC=C(C=C5)C)O)O
InChI
InChI=1S/C26H22O2/c1-17-9-13-20(14-10-17)25(27)22-7-3-5-19-6-4-8-23(24(19)22)26(25,28)21-15-11-18(2)12-16-21/h3-16,27-28H,1-2H3
InChIKey
HBACSMCHIMYSID-UHFFFAOYSA-N
Compound name
1,2-bis(4-methylphenyl)acenaphthylene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.162 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.16928 191.5
[M+Na]+ 389.15122 201.5
[M-H]- 365.15472 200.9
[M+NH4]+ 384.19582 210.6
[M+K]+ 405.12516 193.5
[M+H-H2O]+ 349.15926 182.4
[M+HCOO]- 411.16020 209.1
[M+CH3COO]- 425.17585 202.1
[M+Na-2H]- 387.13667 195.2
[M]+ 366.16145 192.5
[M]- 366.16255 192.5
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

No patent data available for this compound.