CID 26367084

5-fluoro-3-methylbenzofuran-2-carbaldehyde

Structural Information

Molecular Formula

C₁₀H₇FO₂

SMILES

CC1=C(OC2=C1C=C(C=C2)F)C=O

InChI

InChI=1S/C10H7FO2/c1-6-8-4-7(11)2-3-9(8)13-10(6)5-12/h2-5H,1H3

InChIKey

IILSMHPVXOCXOY-UHFFFAOYSA-N

Compound name

5-fluoro-3-methyl-1-benzofuran-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 178.04301 Da
Monoisotopic Mass: 2.6
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]+	179.05029	133.4
[M+Na]+	201.03223	147.6
[M+NH4]+	196.07683	142.2
[M+K]+	217.00617	142.7
[M-H]-	177.03573	135.8
[M+Na-2H]-	199.01768	139.4
[M]+	178.04246	136.1
[M]-	178.04356	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe