CID 510769

4-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-2,4-dioxo-butanoic acid

Structural Information

Molecular Formula
C17H12Cl2O5
SMILES
C1=CC(=CC(=C1)OCC2=C(C=CC=C2Cl)Cl)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C17H12Cl2O5/c18-13-5-2-6-14(19)12(13)9-24-11-4-1-3-10(7-11)15(20)8-16(21)17(22)23/h1-7H,8-9H2,(H,22,23)
InChIKey
DYBGEEXJYVSBKL-UHFFFAOYSA-N
Compound name
4-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.00616 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.01344 173.4
[M+Na]+ 388.99538 181.8
[M-H]- 364.99888 178.6
[M+NH4]+ 384.03998 186.3
[M+K]+ 404.96932 176.4
[M+H-H2O]+ 349.00342 167.9
[M+HCOO]- 411.00436 184.7
[M+CH3COO]- 425.02001 210.5
[M+Na-2H]- 386.98083 173.3
[M]+ 366.00561 180.0
[M]- 366.00671 180.0
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.