CID 62395030

2-(2,3-dichlorophenyl)-2,2-difluoroacetic acid

Structural Information

Molecular Formula
C8H4Cl2F2O2
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C(C(=O)O)(F)F
InChI
InChI=1S/C8H4Cl2F2O2/c9-5-3-1-2-4(6(5)10)8(11,12)7(13)14/h1-3H,(H,13,14)
InChIKey
AROJLPLOIFNGFG-UHFFFAOYSA-N
Compound name
2-(2,3-dichlorophenyl)-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.95564 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.96292 138.2
[M+Na]+ 262.94486 149.1
[M-H]- 238.94836 138.2
[M+NH4]+ 257.98946 156.8
[M+K]+ 278.91880 143.5
[M+H-H2O]+ 222.95290 133.7
[M+HCOO]- 284.95384 148.2
[M+CH3COO]- 298.96949 186.3
[M+Na-2H]- 260.93031 142.6
[M]+ 239.95509 138.7
[M]- 239.95619 138.7
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

patents stripe