CID 34481

Barium bis[2-[(2-hydroxy-1-naphthyl)azo]benzoate]

Structural Information

Molecular Formula
C17H12N2O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=CC=C3C(=O)O)O
InChI
InChI=1S/C17H12N2O3/c20-15-10-9-11-5-1-2-6-12(11)16(15)19-18-14-8-4-3-7-13(14)17(21)22/h1-10,20H,(H,21,22)
InChIKey
OMRMWDQPXBZWGS-UHFFFAOYSA-N
Compound name
2-[(2-hydroxynaphthalen-1-yl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2171
Patents

292.08478 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09206 163.3
[M+Na]+ 315.07400 171.0
[M-H]- 291.07750 171.4
[M+NH4]+ 310.11860 178.9
[M+K]+ 331.04794 167.1
[M+H-H2O]+ 275.08204 154.8
[M+HCOO]- 337.08298 188.4
[M+CH3COO]- 351.09863 207.2
[M+Na-2H]- 313.05945 170.7
[M]+ 292.08423 164.1
[M]- 292.08533 164.1
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