CID 300725

9,10-dichloro-9,10-diphenyl-9,10-dihydroanthracene

Structural Information

Molecular Formula
C26H18Cl2
SMILES
C1=CC=C(C=C1)C2(C3=CC=CC=C3C(C4=CC=CC=C42)(C5=CC=CC=C5)Cl)Cl
InChI
InChI=1S/C26H18Cl2/c27-25(19-11-3-1-4-12-19)21-15-7-9-17-23(21)26(28,20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-18H
InChIKey
LIFMZDYQTYUXEE-UHFFFAOYSA-N
Compound name
9,10-dichloro-9,10-diphenylanthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

400.07855 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.08583 197.3
[M+Na]+ 423.06777 208.0
[M-H]- 399.07127 207.3
[M+NH4]+ 418.11237 214.6
[M+K]+ 439.04171 197.6
[M+H-H2O]+ 383.07581 186.2
[M+HCOO]- 445.07675 207.1
[M+CH3COO]- 459.09240 207.0
[M+Na-2H]- 421.05322 203.2
[M]+ 400.07800 199.1
[M]- 400.07910 199.1
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