CID 19491

P-((dicyanomethyl)azo)benzoic acid ethyl ester

Structural Information

Molecular Formula
C12H10N4O2
SMILES
CCOC(=O)C1=CC=C(C=C1)N=NC(C#N)C#N
InChI
InChI=1S/C12H10N4O2/c1-2-18-12(17)9-3-5-10(6-4-9)15-16-11(7-13)8-14/h3-6,11H,2H2,1H3
InChIKey
BFPXLOFMOHHXNB-UHFFFAOYSA-N
Compound name
ethyl 4-(dicyanomethyldiazenyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

242.08037 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08765 181.4
[M+Na]+ 265.06959 188.5
[M+NH4]+ 260.11419 181.0
[M+K]+ 281.04353 178.2
[M-H]- 241.07309 171.7
[M+Na-2H]- 263.05504 180.0
[M]+ 242.07982 178.2
[M]- 242.08092 178.2
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

patents stripe