CID 111010

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

Structural Information

Molecular Formula
C10H11FO3
SMILES
CCOC(=O)C(C1=CC=C(C=C1)F)O
InChI
InChI=1S/C10H11FO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9,12H,2H2,1H3
InChIKey
CNCGHQKCIUHNRW-UHFFFAOYSA-N
Compound name
ethyl 2-(4-fluorophenyl)-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

198.06923 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.076506 140.1
[M+Na]+ 221.058448 147.3
[M-H]- 197.061954 141.2
[M+NH4]+ 216.103053 158.7
[M+K]+ 237.032388 145.8
[M+H-H2O]+ 181.066490 133.6
[M+HCOO]- 243.067431 160.7
[M+CH3COO]- 257.083081 181.8
[M+Na-2H]- 219.043896 143.5
[M]+ 198.06868142 140.0
[M]- 198.06977858 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe