CID 79357417

Akos017910758

Structural Information

Molecular Formula
C11H11FO4
SMILES
CCOC(=O)C(OC1=CC=C(C=C1)C=O)F
InChI
InChI=1S/C11H11FO4/c1-2-15-11(14)10(12)16-9-5-3-8(7-13)4-6-9/h3-7,10H,2H2,1H3
InChIKey
XSPPUGCSKJARQR-UHFFFAOYSA-N
Compound name
ethyl 2-fluoro-2-(4-formylphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.06413 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07141 145.6
[M+Na]+ 249.05335 153.0
[M-H]- 225.05685 147.9
[M+NH4]+ 244.09795 163.6
[M+K]+ 265.02729 152.1
[M+H-H2O]+ 209.06139 138.4
[M+HCOO]- 271.06233 167.8
[M+CH3COO]- 285.07798 188.6
[M+Na-2H]- 247.03880 149.0
[M]+ 226.06358 148.5
[M]- 226.06468 148.5
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

No patent data available for this compound.