CID 4282345

883825-91-0

Structural Information

Molecular Formula
C23H12Cl4N2O3
SMILES
C1=CC=C(C=C1)N=CC2=C(C(=C(O2)C3=C(C=C(C=C3)Cl)Cl)C4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C23H12Cl4N2O3/c24-13-6-8-16(18(26)10-13)21-22(29(30)31)20(12-28-15-4-2-1-3-5-15)32-23(21)17-9-7-14(25)11-19(17)27/h1-12H
InChIKey
ORXWYSZNVKDEQI-UHFFFAOYSA-N
Compound name
1-[4,5-bis(2,4-dichlorophenyl)-3-nitrofuran-2-yl]-N-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.9602 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.96748 227.0
[M+Na]+ 526.94942 234.6
[M-H]- 502.95292 236.6
[M+NH4]+ 521.99402 234.3
[M+K]+ 542.92336 224.9
[M+H-H2O]+ 486.95746 222.5
[M+HCOO]- 548.95840 232.0
[M+CH3COO]- 562.97405 234.0
[M+Na-2H]- 524.93487 224.2
[M]+ 503.95965 232.3
[M]- 503.96075 232.3
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.