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]+ 263.023636 151.1
[M+Na]+ 285.005578 160.6
[M-H]- 261.009084 153.4
[M+NH4]+ 280.050183 168.9
[M+K]+ 300.979518 155.8
[M+H-H2O]+ 245.013620 147.8
[M+HCOO]- 307.014561 162.3
[M+CH3COO]- 321.030211 191.8
[M+Na-2H]- 282.991026 155.0
[M]+ 262.01581142 156.3
[M]- 262.01690858 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.