CID 53446759

Dtxsid401178135

Structural Information

Molecular Formula
C30H16Cl2O2
SMILES
C1=CC=C2C(=C1)C(=CC=C3C4=C(C(=CC=C4)Cl)C(=O)C5=CC=CC=C53)C6=C(C2=O)C(=CC=C6)Cl
InChI
InChI=1S/C30H16Cl2O2/c31-25-13-5-11-21-19(17-7-1-3-9-23(17)29(33)27(21)25)15-16-20-18-8-2-4-10-24(18)30(34)28-22(20)12-6-14-26(28)32/h1-16H
InChIKey
VIZUBHPKAIOLKP-UHFFFAOYSA-N
Compound name
1-chloro-10-[2-(4-chloro-10-oxoanthracen-9-ylidene)ethylidene]anthracen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.05273 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.06001 214.7
[M+Na]+ 501.04195 226.1
[M-H]- 477.04545 223.2
[M+NH4]+ 496.08655 227.4
[M+K]+ 517.01589 214.8
[M+H-H2O]+ 461.04999 204.0
[M+HCOO]- 523.05093 220.2
[M+CH3COO]- 537.06658 222.7
[M+Na-2H]- 499.02740 216.0
[M]+ 478.05218 217.5
[M]- 478.05328 217.5
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.