CID 17778

2814-77-9

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

2
References

5977
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

literature stripe

Patent stripe

patents stripe