CID 62215366

Ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate

Structural Information

Molecular Formula
C10H10ClFO3
SMILES
CCOC(=O)C(C1=CC(=C(C=C1)Cl)F)O
InChI
InChI=1S/C10H10ClFO3/c1-2-15-10(14)9(13)6-3-4-7(11)8(12)5-6/h3-5,9,13H,2H2,1H3
InChIKey
ZNSRYRUHAPLUPG-UHFFFAOYSA-N
Compound name
ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

232.03024 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.03752 143.7
[M+Na]+ 255.01946 152.7
[M-H]- 231.02296 145.1
[M+NH4]+ 250.06406 162.1
[M+K]+ 270.99340 149.2
[M+H-H2O]+ 215.02750 138.4
[M+HCOO]- 277.02844 159.9
[M+CH3COO]- 291.04409 186.8
[M+Na-2H]- 253.00491 146.2
[M]+ 232.02969 146.1
[M]- 232.03079 146.1
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