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]+ 231.05127 164.3
[M+Na]+ 253.03321 172.7
[M-H]- 229.03671 167.4
[M+NH4]+ 248.07781 175.1
[M+K]+ 269.00715 171.0
[M+H-H2O]+ 213.04125 148.4
[M+HCOO]- 275.04219 177.5
[M+CH3COO]- 289.05784 222.9
[M+Na-2H]- 251.01866 164.9
[M]+ 230.04344 156.1
[M]- 230.04454 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.