CID 9569937

Nsc625817

Structural Information

Molecular Formula
C15H10Cl2N2O4
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)N/N=C/C(=C(/C(=O)O)\Cl)/Cl)O
InChI
InChI=1S/C15H10Cl2N2O4/c16-11(13(17)15(22)23)7-18-19-14(21)10-5-8-3-1-2-4-9(8)6-12(10)20/h1-7,20H,(H,19,21)(H,22,23)/b13-11+,18-7+
InChIKey
XWFAWFZGTCKBSI-NXEYJXPOSA-N
Compound name
(E,4E)-2,3-dichloro-4-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.00177 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.00905 172.0
[M+Na]+ 374.99099 179.1
[M-H]- 350.99449 174.8
[M+NH4]+ 370.03559 186.0
[M+K]+ 390.96493 173.5
[M+H-H2O]+ 334.99903 167.7
[M+HCOO]- 396.99997 183.5
[M+CH3COO]- 411.01562 211.6
[M+Na-2H]- 372.97644 173.9
[M]+ 352.00122 174.7
[M]- 352.00232 174.7
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.