CID 105326

66214-41-3

Structural Information

Molecular Formula
C28H16Cl2N2O2
SMILES
C1=CC=C(C=C1)C(=NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)N=C(C5=CC=CC=C5)Cl)Cl
InChI
InChI=1S/C28H16Cl2N2O2/c29-27(17-7-3-1-4-8-17)31-19-11-13-21-23(15-19)25(33)22-14-12-20(16-24(22)26(21)34)32-28(30)18-9-5-2-6-10-18/h1-16H
InChIKey
SXMJAAZDNXOTAM-UHFFFAOYSA-N
Compound name
N-[6-[[chloro(phenyl)methylidene]amino]-9,10-dioxoanthracen-2-yl]benzenecarboximidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.05887 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.06615 214.7
[M+Na]+ 505.04809 223.0
[M-H]- 481.05159 226.7
[M+NH4]+ 500.09269 225.3
[M+K]+ 521.02203 214.6
[M+H-H2O]+ 465.05613 203.8
[M+HCOO]- 527.05707 227.5
[M+CH3COO]- 541.07272 223.2
[M+Na-2H]- 503.03354 217.1
[M]+ 482.05832 219.0
[M]- 482.05942 219.0
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.