CID 66910

4-phenylazobenzoyl chloride

Structural Information

Molecular Formula
C13H9ClN2O
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)Cl
InChI
InChI=1S/C13H9ClN2O/c14-13(17)10-6-8-12(9-7-10)16-15-11-4-2-1-3-5-11/h1-9H
InChIKey
RYMHZBAYPLCCAC-UHFFFAOYSA-N
Compound name
4-phenyldiazenylbenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

206
Patents

244.04034 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.047616 151.9
[M+Na]+ 267.029558 160.1
[M-H]- 243.033064 161.2
[M+NH4]+ 262.074163 170.5
[M+K]+ 283.003498 156.0
[M+H-H2O]+ 227.037600 144.3
[M+HCOO]- 289.038541 176.6
[M+CH3COO]- 303.054191 199.3
[M+Na-2H]- 265.015006 159.6
[M]+ 244.03979142 154.9
[M]- 244.04088858 154.9
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.