CID 23546

4,4'-oxydibenzoyl chloride

Structural Information

Molecular Formula
C14H8Cl2O3
SMILES
C1=CC(=CC=C1C(=O)Cl)OC2=CC=C(C=C2)C(=O)Cl
InChI
InChI=1S/C14H8Cl2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H
InChIKey
OSUWBBMPVXVSOA-UHFFFAOYSA-N
Compound name
4-(4-carbonochloridoylphenoxy)benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2299
Patents

293.98505 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.99233 157.5
[M+Na]+ 316.97427 167.1
[M-H]- 292.97777 164.0
[M+NH4]+ 312.01887 174.0
[M+K]+ 332.94821 161.6
[M+H-H2O]+ 276.98231 151.9
[M+HCOO]- 338.98325 171.4
[M+CH3COO]- 352.99890 198.7
[M+Na-2H]- 314.95972 160.8
[M]+ 293.98450 162.7
[M]- 293.98560 162.7
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