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

80
Patents

327.04108 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.04836 171.1
[M+Na]+ 350.03030 179.0
[M-H]- 326.03380 180.0
[M+NH4]+ 345.07490 185.9
[M+K]+ 366.00424 170.1
[M+H-H2O]+ 310.03834 167.5
[M+HCOO]- 372.03928 194.5
[M+CH3COO]- 386.05493 208.3
[M+Na-2H]- 348.01575 180.0
[M]+ 327.04053 173.4
[M]- 327.04163 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