CID 378370

Nsc660667

Structural Information

Molecular Formula
C29H23BrO2
SMILES
COC1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC=C(C=C5)OCCBr
InChI
InChI=1S/C29H23BrO2/c1-31-22-14-10-20(11-15-22)28-24-6-2-4-8-26(24)29(27-9-5-3-7-25(27)28)21-12-16-23(17-13-21)32-19-18-30/h2-17H,18-19H2,1H3
InChIKey
AVSKNWGVQREKEE-UHFFFAOYSA-N
Compound name
9-[4-(2-bromoethoxy)phenyl]-10-(4-methoxyphenyl)anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.08813 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.09541 217.2
[M+Na]+ 505.07735 227.3
[M-H]- 481.08085 229.9
[M+NH4]+ 500.12195 229.8
[M+K]+ 521.05129 214.3
[M+H-H2O]+ 465.08539 212.5
[M+HCOO]- 527.08633 235.2
[M+CH3COO]- 541.10198 227.6
[M+Na-2H]- 503.06280 221.8
[M]+ 482.08758 238.8
[M]- 482.08868 238.8
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

No patent data available for this compound.