CID 7578179

Ethyl 2-(2-fluorophenyl)acetate

Structural Information

Molecular Formula
C10H11FO2
SMILES
CCOC(=O)CC1=CC=CC=C1F
InChI
InChI=1S/C10H11FO2/c1-2-13-10(12)7-8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3
InChIKey
OFWMNCYZASDVSS-UHFFFAOYSA-N
Compound name
ethyl 2-(2-fluorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

182.07431 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.081586 136.1
[M+Na]+ 205.063528 144.2
[M-H]- 181.067034 138.7
[M+NH4]+ 200.108133 156.3
[M+K]+ 221.037468 142.6
[M+H-H2O]+ 165.071570 129.6
[M+HCOO]- 227.072511 159.1
[M+CH3COO]- 241.088161 181.5
[M+Na-2H]- 203.048976 141.4
[M]+ 182.07376142 137.2
[M]- 182.07485858 137.2
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