CID 578067

Azobenzene-3,3'-dicarboxylic acid

Structural Information

Molecular Formula
C14H10N2O4
SMILES
C1=CC(=CC(=C1)N=NC2=CC=CC(=C2)C(=O)O)C(=O)O
InChI
InChI=1S/C14H10N2O4/c17-13(18)9-3-1-5-11(7-9)15-16-12-6-2-4-10(8-12)14(19)20/h1-8H,(H,17,18)(H,19,20)
InChIKey
QBVIXYABUQQSRY-UHFFFAOYSA-N
Compound name
3-[(3-carboxyphenyl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

327
Patents

270.06406 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.071336 157.1
[M+Na]+ 293.053278 163.7
[M-H]- 269.056784 164.3
[M+NH4]+ 288.097883 172.2
[M+K]+ 309.027218 161.5
[M+H-H2O]+ 253.061320 148.9
[M+HCOO]- 315.062261 182.9
[M+CH3COO]- 329.077911 201.5
[M+Na-2H]- 291.038726 162.2
[M]+ 270.06351142 157.8
[M]- 270.06460858 157.8
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