CID 3021743

4-((dicyanomethyl)azo)salicylic acid

Structural Information

Molecular Formula
C10H6N4O3
SMILES
C1=CC(=C(C=C1N=NC(C#N)C#N)O)C(=O)O
InChI
InChI=1S/C10H6N4O3/c11-4-7(5-12)14-13-6-1-2-8(10(16)17)9(15)3-6/h1-3,7,15H,(H,16,17)
InChIKey
OGYTWTSNFIRZJD-UHFFFAOYSA-N
Compound name
4-(dicyanomethyldiazenyl)-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.04399 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.051266 164.3
[M+Na]+ 253.033208 172.7
[M-H]- 229.036714 167.4
[M+NH4]+ 248.077813 175.1
[M+K]+ 269.007148 171.0
[M+H-H2O]+ 213.041250 148.4
[M+HCOO]- 275.042191 177.5
[M+CH3COO]- 289.057841 222.9
[M+Na-2H]- 251.018656 164.9
[M]+ 230.04344142 156.1
[M]- 230.04453858 156.1
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

No patent data available for this compound.