CID 273419

Methyl 4-(phenylazo)benzoate

Structural Information

Molecular Formula
C14H12N2O2
SMILES
COC(=O)C1=CC=C(C=C1)N=NC2=CC=CC=C2
InChI
InChI=1S/C14H12N2O2/c1-18-14(17)11-7-9-13(10-8-11)16-15-12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
SUFXZYCPKGRJIZ-UHFFFAOYSA-N
Compound name
methyl 4-phenyldiazenylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

43
Patents

240.08987 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 152.1
[M+Na]+ 263.07909 159.0
[M-H]- 239.08259 161.6
[M+NH4]+ 258.12369 170.0
[M+K]+ 279.05303 157.3
[M+H-H2O]+ 223.08713 143.4
[M+HCOO]- 285.08807 181.4
[M+CH3COO]- 299.10372 200.0
[M+Na-2H]- 261.06454 159.9
[M]+ 240.08932 154.5
[M]- 240.09042 154.5
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

patents stripe