CID 634627

9,10-bis(4-methoxyphenyl)-2-chloroanthracene

Structural Information

Molecular Formula
C28H21ClO2
SMILES
COC1=CC=C(C=C1)C2=C3C=CC(=CC3=C(C4=CC=CC=C42)C5=CC=C(C=C5)OC)Cl
InChI
InChI=1S/C28H21ClO2/c1-30-21-12-7-18(8-13-21)27-23-5-3-4-6-24(23)28(19-9-14-22(31-2)15-10-19)26-17-20(29)11-16-25(26)27/h3-17H,1-2H3
InChIKey
ONASMBRWDSADQY-UHFFFAOYSA-N
Compound name
2-chloro-9,10-bis(4-methoxyphenyl)anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

180
Patents

424.12302 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.13030 204.9
[M+Na]+ 447.11224 227.8
[M+NH4]+ 442.15684 216.1
[M+K]+ 463.08618 213.8
[M-H]- 423.11574 215.5
[M+Na-2H]- 445.09769 218.0
[M]+ 424.12247 212.3
[M]- 424.12357 212.3
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