CID 21627

O-((dicyanomethyl)azo)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

214.04907 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.05635 161.9
[M+Na]+ 237.03829 170.2
[M-H]- 213.04179 165.7
[M+NH4]+ 232.08289 173.5
[M+K]+ 253.01223 168.3
[M+H-H2O]+ 197.04633 145.7
[M+HCOO]- 259.04727 176.0
[M+CH3COO]- 273.06292 222.3
[M+Na-2H]- 235.02374 163.3
[M]+ 214.04852 153.8
[M]- 214.04962 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.