CID 4246116

Azobenzene-4,4'-dicarbonyl dichloride

Structural Information

Molecular Formula
C14H8Cl2N2O2
SMILES
C1=CC(=CC=C1C(=O)Cl)N=NC2=CC=C(C=C2)C(=O)Cl
InChI
InChI=1S/C14H8Cl2N2O2/c15-13(19)9-1-5-11(6-2-9)17-18-12-7-3-10(4-8-12)14(16)20/h1-8H
InChIKey
ASOXKYGOZZTVHL-UHFFFAOYSA-N
Compound name
4-[(4-carbonochloridoylphenyl)diazenyl]benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

305.99628 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.003556 165.1
[M+Na]+ 328.985498 174.2
[M-H]- 304.989004 174.0
[M+NH4]+ 324.030103 181.8
[M+K]+ 344.959438 169.1
[M+H-H2O]+ 288.993540 158.3
[M+HCOO]- 350.994481 183.8
[M+CH3COO]- 365.010131 209.8
[M+Na-2H]- 326.970946 169.6
[M]+ 305.99573142 170.5
[M]- 305.99682858 170.5
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