CID 11275689

52939-03-4

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

COC(=O)C1=CC=C(O1)C2=CC=CC=C2

InChI

InChI=1S/C12H10O3/c1-14-12(13)11-8-7-10(15-11)9-5-3-2-4-6-9/h2-8H,1H3

InChIKey

RQWRCTAAHRAAGB-UHFFFAOYSA-N

Compound name

methyl 5-phenylfuran-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 202.06299 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]+	203.07027	141.2
[M+Na]+	225.05221	149.7
[M-H]-	201.05571	149.2
[M+NH4]+	220.09681	160.7
[M+K]+	241.02615	149.0
[M+H-H2O]+	185.06025	135.1
[M+HCOO]-	247.06119	166.1
[M+CH3COO]-	261.07684	182.5
[M+Na-2H]-	223.03766	146.9
[M]+	202.06244	144.3
[M]-	202.06354	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe