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

22
Patents

198.06923 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.076506 139.3
[M+Na]+ 221.058448 147.3
[M-H]- 197.061954 141.8
[M+NH4]+ 216.103053 158.7
[M+K]+ 237.032388 146.2
[M+H-H2O]+ 181.066490 132.4
[M+HCOO]- 243.067431 162.4
[M+CH3COO]- 257.083081 183.5
[M+Na-2H]- 219.043896 144.5
[M]+ 198.06868142 141.8
[M]- 198.06977858 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