CID 135811704

72765-61-8

Structural Information

Molecular Formula
C16H12N2O4S
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=CC=C3S(=O)(=O)O)O
InChI
InChI=1S/C16H12N2O4S/c19-14-10-9-11-5-1-2-6-12(11)16(14)18-17-13-7-3-4-8-15(13)23(20,21)22/h1-10,19H,(H,20,21,22)
InChIKey
MWPHPGPIHQZTED-UHFFFAOYSA-N
Compound name
2-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

328.0518 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.05908 170.8
[M+Na]+ 351.04102 184.0
[M+NH4]+ 346.08562 178.3
[M+K]+ 367.01496 175.7
[M-H]- 327.04452 175.4
[M+Na-2H]- 349.02647 179.6
[M]+ 328.05125 174.4
[M]- 328.05235 174.4
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