CID 3019105

Einecs 280-111-0

Structural Information

Molecular Formula
C16H12N2O4S
SMILES
C1=CC=C2C(=C1)C=CC(=C2O)N=NC3=CC(=CC=C3)S(=O)(=O)O
InChI
InChI=1S/C16H12N2O4S/c19-16-14-7-2-1-4-11(14)8-9-15(16)18-17-12-5-3-6-13(10-12)23(20,21)22/h1-10,19H,(H,20,21,22)
InChIKey
RYPOIFIIVAKMNI-UHFFFAOYSA-N
Compound name
3-[(1-hydroxynaphthalen-2-yl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0518 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.059076 170.3
[M+Na]+ 351.041018 179.1
[M-H]- 327.044524 178.4
[M+NH4]+ 346.085623 184.9
[M+K]+ 367.014958 174.4
[M+H-H2O]+ 311.049060 162.4
[M+HCOO]- 373.050001 190.3
[M+CH3COO]- 387.065651 209.0
[M+Na-2H]- 349.026466 178.3
[M]+ 328.05125142 173.8
[M]- 328.05234858 173.8
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.