CID 21715448

135965-21-8

Structural Information

Molecular Formula
C30H25ClO2
SMILES
CCOC1=CC=C(C=C1)C2=C3C=CC(=CC3=C(C4=CC=CC=C42)C5=CC=C(C=C5)OCC)Cl
InChI
InChI=1S/C30H25ClO2/c1-3-32-23-14-9-20(10-15-23)29-25-7-5-6-8-26(25)30(28-19-22(31)13-18-27(28)29)21-11-16-24(17-12-21)33-4-2/h5-19H,3-4H2,1-2H3
InChIKey
RFVZBUUPBPFZMH-UHFFFAOYSA-N
Compound name
2-chloro-9,10-bis(4-ethoxyphenyl)anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

452.1543 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.16158 214.3
[M+Na]+ 475.14352 236.7
[M+NH4]+ 470.18812 225.1
[M+K]+ 491.11746 222.2
[M-H]- 451.14702 224.7
[M+Na-2H]- 473.12897 226.7
[M]+ 452.15375 221.6
[M]- 452.15485 221.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe