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]+ 238.94280 139.2
[M+Na]+ 260.92474 149.3
[M-H]- 236.92824 140.5
[M+NH4]+ 255.96934 157.8
[M+K]+ 276.89868 143.7
[M+H-H2O]+ 220.93278 137.1
[M+HCOO]- 282.93372 146.5
[M+CH3COO]- 296.94937 187.1
[M+Na-2H]- 258.91019 141.8
[M]+ 237.93497 141.9
[M]- 237.93607 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