CID 347788

Nsc406644

Structural Information

Molecular Formula
C26H16Cl2N2O3
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)N=[N+](C3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)[O-]
InChI
InChI=1S/C26H16Cl2N2O3/c27-21-9-1-17(2-10-21)25(31)19-5-13-23(14-6-19)29-30(33)24-15-7-20(8-16-24)26(32)18-3-11-22(28)12-4-18/h1-16H
InChIKey
HYEVROGXEIUFND-UHFFFAOYSA-N
Compound name
[4-(4-chlorobenzoyl)phenyl]-[4-(4-chlorobenzoyl)phenyl]imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.0538 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.06108 214.8
[M+Na]+ 497.04302 219.5
[M-H]- 473.04652 226.4
[M+NH4]+ 492.08762 221.8
[M+K]+ 513.01696 208.3
[M+H-H2O]+ 457.05106 208.4
[M+HCOO]- 519.05200 229.1
[M+CH3COO]- 533.06765 231.7
[M+Na-2H]- 495.02847 216.0
[M]+ 474.05325 217.1
[M]- 474.05435 217.1
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.