CID 367784

Nsc637725

Structural Information

Molecular Formula
C16H9Cl2NO2
SMILES
C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C16H9Cl2NO2/c17-9-5-6-12(18)14(7-9)19-13-8-15(20)16(21)11-4-2-1-3-10(11)13/h1-8,19H
InChIKey
ZJYOWIHKEJINCK-UHFFFAOYSA-N
Compound name
4-(2,5-dichloroanilino)naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.00104 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.00832 167.1
[M+Na]+ 339.99026 178.6
[M-H]- 315.99376 174.6
[M+NH4]+ 335.03486 184.1
[M+K]+ 355.96420 171.2
[M+H-H2O]+ 299.99830 161.1
[M+HCOO]- 361.99924 181.2
[M+CH3COO]- 376.01489 179.4
[M+Na-2H]- 337.97571 171.7
[M]+ 317.00049 170.7
[M]- 317.00159 170.7
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.