CID 82292568

2-chloro-2-(3,4-dichlorophenyl)acetic acid

Structural Information

Molecular Formula
C8H5Cl3O2
SMILES
C1=CC(=C(C=C1C(C(=O)O)Cl)Cl)Cl
InChI
InChI=1S/C8H5Cl3O2/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7H,(H,12,13)
InChIKey
KITYSJQANLRAJJ-UHFFFAOYSA-N
Compound name
2-chloro-2-(3,4-dichlorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

237.93552 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.942796 139.2
[M+Na]+ 260.924738 149.3
[M-H]- 236.928244 140.5
[M+NH4]+ 255.969343 157.8
[M+K]+ 276.898678 143.7
[M+H-H2O]+ 220.932780 137.1
[M+HCOO]- 282.933721 146.5
[M+CH3COO]- 296.949371 187.1
[M+Na-2H]- 258.910186 141.8
[M]+ 237.93497142 141.9
[M]- 237.93606858 141.9
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

patents stripe