CID 11535768

(r)-6-ethylbenzo[1,2-b:5,6-c']difuran-8(6h)-one

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

CC[C@@H]1C2=C(C3=C(C=C2)C=CO3)C(=O)O1

InChI

InChI=1S/C12H10O3/c1-2-9-8-4-3-7-5-6-14-11(7)10(8)12(13)15-9/h3-6,9H,2H2,1H3/t9-/m1/s1

InChIKey

NPJOJMUVGGLVJT-SECBINFHSA-N

Compound name

(6R)-6-ethyl-6H-furo[3,4-g][1]benzofuran-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 202.06299 Da
Monoisotopic Mass: 2.7
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	138.7
[M+Na]+	225.05221	150.8
[M-H]-	201.05571	146.9
[M+NH4]+	220.09681	161.7
[M+K]+	241.02615	149.8
[M+H-H2O]+	185.06025	135.3
[M+HCOO]-	247.06119	162.6
[M+CH3COO]-	261.07684	154.7
[M+Na-2H]-	223.03766	145.9
[M]+	202.06244	145.0
[M]-	202.06354	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe