CID 10943448

Methyl 4-(2-fluoroethoxy)benzoate

Structural Information

Molecular Formula
C10H11FO3
SMILES
COC(=O)C1=CC=C(C=C1)OCCF
InChI
InChI=1S/C10H11FO3/c1-13-10(12)8-2-4-9(5-3-8)14-7-6-11/h2-5H,6-7H2,1H3
InChIKey
KODIHNQWZAHXMW-UHFFFAOYSA-N
Compound name
methyl 4-(2-fluoroethoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

198.06923 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07651 139.3
[M+Na]+ 221.05845 147.3
[M-H]- 197.06195 141.8
[M+NH4]+ 216.10305 158.7
[M+K]+ 237.03239 146.2
[M+H-H2O]+ 181.06649 132.4
[M+HCOO]- 243.06743 162.4
[M+CH3COO]- 257.08308 183.5
[M+Na-2H]- 219.04390 144.5
[M]+ 198.06868 141.8
[M]- 198.06978 141.8
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