CID 135418366

Inn-108

Structural Information

Molecular Formula
C15H12N2O5
SMILES
C1=CC(=CC=C1CC(=O)O)N=NC2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C15H12N2O5/c18-13-6-5-11(8-12(13)15(21)22)17-16-10-3-1-9(2-4-10)7-14(19)20/h1-6,8,18H,7H2,(H,19,20)(H,21,22)
InChIKey
FNRNBCNUWGWVFO-UHFFFAOYSA-N
Compound name
5-[[4-(carboxymethyl)phenyl]diazenyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

300.07462 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.08190 164.4
[M+Na]+ 323.06384 170.8
[M-H]- 299.06734 170.4
[M+NH4]+ 318.10844 177.8
[M+K]+ 339.03778 168.4
[M+H-H2O]+ 283.07188 156.2
[M+HCOO]- 345.07282 188.5
[M+CH3COO]- 359.08847 205.8
[M+Na-2H]- 321.04929 167.9
[M]+ 300.07407 165.4
[M]- 300.07517 165.4
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