CID 461345

2-chloro-3-(3-hydrazinoanilino)naphthalene-1,4-dione

Structural Information

Molecular Formula
C16H12ClN3O2
SMILES
C1=CC=C2C(=C1)C(=C(C(=C2O)Cl)NC3=CC(=CC=C3)N=N)O
InChI
InChI=1S/C16H12ClN3O2/c17-13-14(19-9-4-3-5-10(8-9)20-18)16(22)12-7-2-1-6-11(12)15(13)21/h1-8,18-19,21-22H
InChIKey
YEEBPSPDJIXDFT-UHFFFAOYSA-N
Compound name
2-chloro-3-(3-diazenylanilino)naphthalene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.0618 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.06908 168.0
[M+Na]+ 336.05102 177.7
[M-H]- 312.05452 175.2
[M+NH4]+ 331.09562 183.4
[M+K]+ 352.02496 171.2
[M+H-H2O]+ 296.05906 161.0
[M+HCOO]- 358.06000 189.1
[M+CH3COO]- 372.07565 179.8
[M+Na-2H]- 334.03647 175.1
[M]+ 313.06125 169.4
[M]- 313.06235 169.4
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.