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 170.3
[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

No literature data available for this compound.

Patent stripe

patents stripe