CID 245037

Nsc56529

Structural Information

Molecular Formula
C18H10Cl4N2O2
SMILES
C1=CC(=C(C=C1Cl)Cl)NC2=CC(=O)C(=CC2=O)NC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H10Cl4N2O2/c19-9-1-3-13(11(21)5-9)23-15-7-18(26)16(8-17(15)25)24-14-4-2-10(20)6-12(14)22/h1-8,23-24H
InChIKey
KXTRZDFLHFGYLV-UHFFFAOYSA-N
Compound name
2,5-bis(2,4-dichloroanilino)cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.94965 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.95693 193.5
[M+Na]+ 448.93887 204.0
[M-H]- 424.94237 199.9
[M+NH4]+ 443.98347 204.6
[M+K]+ 464.91281 196.3
[M+H-H2O]+ 408.94691 187.4
[M+HCOO]- 470.94785 198.2
[M+CH3COO]- 484.96350 202.2
[M+Na-2H]- 446.92432 192.6
[M]+ 425.94910 196.7
[M]- 425.95020 196.7
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.