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
2
Annotation Hits

2
References

202
Patents

244.04034 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.04762 151.9
[M+Na]+ 267.02956 160.1
[M-H]- 243.03306 161.2
[M+NH4]+ 262.07416 170.5
[M+K]+ 283.00350 156.0
[M+H-H2O]+ 227.03760 144.3
[M+HCOO]- 289.03854 176.6
[M+CH3COO]- 303.05419 199.3
[M+Na-2H]- 265.01501 159.6
[M]+ 244.03979 154.9
[M]- 244.04089 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

literature stripe

Patent stripe

patents stripe