CID 75374

[1,1'-biphenyl]-4,4'-dicarbonyl dichloride

Structural Information

Molecular Formula
C14H8Cl2O2
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)Cl)C(=O)Cl
InChI
InChI=1S/C14H8Cl2O2/c15-13(17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(16)18/h1-8H
InChIKey
QDBOAKPEXMMQFO-UHFFFAOYSA-N
Compound name
4-(4-carbonochloridoylphenyl)benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2365
Patents

277.99014 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.997416 154.8
[M+Na]+ 300.979358 164.5
[M-H]- 276.982864 161.2
[M+NH4]+ 296.023963 172.0
[M+K]+ 316.953298 158.3
[M+H-H2O]+ 260.987400 149.4
[M+HCOO]- 322.988341 168.4
[M+CH3COO]- 337.003991 196.6
[M+Na-2H]- 298.964806 158.0
[M]+ 277.98959142 158.5
[M]- 277.99068858 158.5
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