CID 21626

P-((dicyanomethyl)azo)benzoic acid

Structural Information

Molecular Formula
C10H6N4O2
SMILES
C1=CC(=CC=C1C(=O)O)N=NC(C#N)C#N
InChI
InChI=1S/C10H6N4O2/c11-5-9(6-12)14-13-8-3-1-7(2-4-8)10(15)16/h1-4,9H,(H,15,16)
InChIKey
WNVACCWQWPVLTG-UHFFFAOYSA-N
Compound name
4-(dicyanomethyldiazenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.04907 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.056346 161.9
[M+Na]+ 237.038288 170.2
[M-H]- 213.041794 165.7
[M+NH4]+ 232.082893 173.5
[M+K]+ 253.012228 168.3
[M+H-H2O]+ 197.046330 145.7
[M+HCOO]- 259.047271 176.0
[M+CH3COO]- 273.062921 222.3
[M+Na-2H]- 235.023736 163.3
[M]+ 214.04852142 153.8
[M]- 214.04961858 153.8
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

No patent data available for this compound.