CID 51742

2-(2,6-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)acetic acid

Structural Information

Molecular Formula
C15H10Cl4O3
SMILES
C1=CC(=C(C(=C1)Cl)COC(C2=C(C=C(C=C2)Cl)Cl)C(=O)O)Cl
InChI
InChI=1S/C15H10Cl4O3/c16-8-4-5-9(13(19)6-8)14(15(20)21)22-7-10-11(17)2-1-3-12(10)18/h1-6,14H,7H2,(H,20,21)
InChIKey
BORROOGPAKGNLW-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.93842 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.94570 171.3
[M+Na]+ 400.92764 180.8
[M-H]- 376.93114 173.9
[M+NH4]+ 395.97224 184.2
[M+K]+ 416.90158 174.4
[M+H-H2O]+ 360.93568 167.6
[M+HCOO]- 422.93662 172.5
[M+CH3COO]- 436.95227 212.3
[M+Na-2H]- 398.91309 170.3
[M]+ 377.93787 176.2
[M]- 377.93897 176.2
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.