CID 135571121

2749-57-7

Structural Information

Molecular Formula
C16H10ClN3O4
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC(=C(C=C3O)[N+](=O)[O-])Cl)O
InChI
InChI=1S/C16H10ClN3O4/c17-11-7-12(15(22)8-13(11)20(23)24)18-19-16-10-4-2-1-3-9(10)5-6-14(16)21/h1-8,21-22H
InChIKey
PXTGGWOMAKLQQK-UHFFFAOYSA-N
Compound name
1-[(5-chloro-2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.03598 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.04326 173.4
[M+Na]+ 366.02520 181.5
[M-H]- 342.02870 181.4
[M+NH4]+ 361.06980 187.0
[M+K]+ 381.99914 172.6
[M+H-H2O]+ 326.03324 170.2
[M+HCOO]- 388.03418 195.5
[M+CH3COO]- 402.04983 209.2
[M+Na-2H]- 364.01065 181.6
[M]+ 343.03543 175.7
[M]- 343.03653 175.7
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.