CID 20987630

3-(3,5-dichlorophenoxy)-2,2-dimethylpropanoic acid

Structural Information

Molecular Formula
C11H12Cl2O3
SMILES
CC(C)(COC1=CC(=CC(=C1)Cl)Cl)C(=O)O
InChI
InChI=1S/C11H12Cl2O3/c1-11(2,10(14)15)6-16-9-4-7(12)3-8(13)5-9/h3-5H,6H2,1-2H3,(H,14,15)
InChIKey
WNHMFSDYTVEJNO-UHFFFAOYSA-N
Compound name
3-(3,5-dichlorophenoxy)-2,2-dimethylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.01636 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.02364 151.1
[M+Na]+ 285.00558 160.6
[M-H]- 261.00908 153.4
[M+NH4]+ 280.05018 168.9
[M+K]+ 300.97952 155.8
[M+H-H2O]+ 245.01362 147.8
[M+HCOO]- 307.01456 162.3
[M+CH3COO]- 321.03021 191.8
[M+Na-2H]- 282.99103 155.0
[M]+ 262.01581 156.3
[M]- 262.01691 156.3
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.