CID 80853

2-naphthalenol, 1-[(4-chloro-2-nitrophenyl)azo]-

Structural Information

Molecular Formula
C16H10ClN3O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])O
InChI
InChI=1S/C16H10ClN3O3/c17-11-6-7-13(14(9-11)20(22)23)18-19-16-12-4-2-1-3-10(12)5-8-15(16)21/h1-9,21H
InChIKey
FHEFMHNVEBIQDW-UHFFFAOYSA-N
Compound name
1-[(4-chloro-2-nitrophenyl)diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

346
Patents

327.04108 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.048356 171.1
[M+Na]+ 350.030298 179.0
[M-H]- 326.033804 180.0
[M+NH4]+ 345.074903 185.9
[M+K]+ 366.004238 170.1
[M+H-H2O]+ 310.038340 167.5
[M+HCOO]- 372.039281 194.5
[M+CH3COO]- 386.054931 208.3
[M+Na-2H]- 348.015746 180.0
[M]+ 327.04053142 173.4
[M]- 327.04162858 173.4
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

patents stripe