CID 2758819

Ethyl 4-chloro-3-fluorobenzoylformate

Structural Information

Molecular Formula

C₁₀H₈ClFO₃

SMILES

CCOC(=O)C(=O)C1=CC(=C(C=C1)Cl)F

InChI

InChI=1S/C10H8ClFO3/c1-2-15-10(14)9(13)6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3

InChIKey

WOSOIZKCUZXMBV-UHFFFAOYSA-N

Compound name

ethyl 2-(4-chloro-3-fluorophenyl)-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 230.0146 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.02188	141.7
[M+Na]+	253.00382	151.5
[M-H]-	229.00732	144.6
[M+NH4]+	248.04842	160.9
[M+K]+	268.97776	148.3
[M+H-H2O]+	213.01186	136.2
[M+HCOO]-	275.01280	159.6
[M+CH3COO]-	289.02845	188.5
[M+Na-2H]-	250.98927	144.8
[M]+	230.01405	145.4
[M]-	230.01515	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe