CID 135596564

Einecs 279-932-7

Structural Information

Molecular Formula
C16H9Cl2N3O4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])O)N=NC2=C(C3=C(C=CC(=C3C=C2)Cl)Cl)O
InChI
InChI=1S/C16H9Cl2N3O4/c17-10-3-4-11(18)15-9(10)2-6-13(16(15)23)20-19-12-5-1-8(21(24)25)7-14(12)22/h1-7,22-23H
InChIKey
KDRPIUAFKNCACL-UHFFFAOYSA-N
Compound name
5,8-dichloro-2-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.997 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.00428 181.6
[M+Na]+ 399.98622 190.6
[M-H]- 375.98972 188.9
[M+NH4]+ 395.03082 194.6
[M+K]+ 415.96016 181.1
[M+H-H2O]+ 359.99426 179.5
[M+HCOO]- 421.99520 198.5
[M+CH3COO]- 436.01085 214.6
[M+Na-2H]- 397.97167 188.1
[M]+ 376.99645 185.9
[M]- 376.99755 185.9
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.