CID 378367

Nsc660664

Structural Information

Molecular Formula
C30H24Br2O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C4=CC=C(C=C4)OCCBr)C5=CC=C(C=C5)OCCBr
InChI
InChI=1S/C30H24Br2O2/c31-17-19-33-23-13-9-21(10-14-23)29-25-5-1-2-6-26(25)30(28-8-4-3-7-27(28)29)22-11-15-24(16-12-22)34-20-18-32/h1-16H,17-20H2
InChIKey
KYWXMDFDULKNDS-UHFFFAOYSA-N
Compound name
9,10-bis[4-(2-bromoethoxy)phenyl]anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.0143 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.02158 216.8
[M+Na]+ 597.00352 224.2
[M-H]- 573.00702 227.9
[M+NH4]+ 592.04812 227.4
[M+K]+ 612.97746 209.9
[M+H-H2O]+ 557.01156 221.6
[M+HCOO]- 619.01250 229.4
[M+CH3COO]- 633.02815 225.6
[M+Na-2H]- 594.98897 220.0
[M]+ 574.01375 252.7
[M]- 574.01485 252.7
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.