CID 117318816

2-(3-chloro-2,4-difluorophenyl)-2-hydroxyacetic acid

Structural Information

Molecular Formula
C8H5ClF2O3
SMILES
C1=CC(=C(C(=C1C(C(=O)O)O)F)Cl)F
InChI
InChI=1S/C8H5ClF2O3/c9-5-4(10)2-1-3(6(5)11)7(12)8(13)14/h1-2,7,12H,(H,13,14)
InChIKey
REGRPAGOCJGNRI-UHFFFAOYSA-N
Compound name
2-(3-chloro-2,4-difluorophenyl)-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

221.98953 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.99681 135.9
[M+Na]+ 244.97875 146.2
[M-H]- 220.98225 135.2
[M+NH4]+ 240.02335 154.2
[M+K]+ 260.95269 142.0
[M+H-H2O]+ 204.98679 130.6
[M+HCOO]- 266.98773 150.2
[M+CH3COO]- 281.00338 183.0
[M+Na-2H]- 242.96420 137.8
[M]+ 221.98898 135.1
[M]- 221.99008 135.1
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