CID 117416482

3-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanoic acid

Structural Information

Molecular Formula
C11H11Cl2FO2
SMILES
CC(C)(CC1=CC(=C(C(=C1)Cl)F)Cl)C(=O)O
InChI
InChI=1S/C11H11Cl2FO2/c1-11(2,10(15)16)5-6-3-7(12)9(14)8(13)4-6/h3-4H,5H2,1-2H3,(H,15,16)
InChIKey
FUAOTFBEVFFLBB-UHFFFAOYSA-N
Compound name
3-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.01202 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.01930 149.6
[M+Na]+ 287.00124 160.1
[M-H]- 263.00474 150.8
[M+NH4]+ 282.04584 167.7
[M+K]+ 302.97518 154.4
[M+H-H2O]+ 247.00928 145.8
[M+HCOO]- 309.01022 159.6
[M+CH3COO]- 323.02587 193.7
[M+Na-2H]- 284.98669 152.3
[M]+ 264.01147 152.7
[M]- 264.01257 152.7
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.