CID 10656

Benzenesulfonic acid, 4-(2-(4-hydroxy-1-naphthalenyl)diazenyl)-

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

1
References

4637
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 170.3
[M+Na]+ 351.04102 179.1
[M-H]- 327.04452 178.4
[M+NH4]+ 346.08562 184.9
[M+K]+ 367.01496 174.4
[M+H-H2O]+ 311.04906 162.4
[M+HCOO]- 373.05000 190.3
[M+CH3COO]- 387.06565 209.0
[M+Na-2H]- 349.02647 178.3
[M]+ 328.05125 173.8
[M]- 328.05235 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

literature stripe

Patent stripe

patents stripe