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

119
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 214.8
[M+Na]+ 475.14352 224.9
[M-H]- 451.14702 225.9
[M+NH4]+ 470.18812 226.2
[M+K]+ 491.11746 216.0
[M+H-H2O]+ 435.15156 203.1
[M+HCOO]- 497.15250 230.6
[M+CH3COO]- 511.16815 224.2
[M+Na-2H]- 473.12897 217.8
[M]+ 452.15375 222.1
[M]- 452.15485 222.1
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