CID 130036083

5-fluoro-1-methyl-2,3-dihydro-1h-indene-1-carbaldehyde

Structural Information

Molecular Formula

C₁₁H₁₁FO

SMILES

CC1(CCC2=C1C=CC(=C2)F)C=O

InChI

InChI=1S/C11H11FO/c1-11(7-13)5-4-8-6-9(12)2-3-10(8)11/h2-3,6-7H,4-5H2,1H3

InChIKey

GGCLTLCBBUTFOK-UHFFFAOYSA-N

Compound name

5-fluoro-1-methyl-2,3-dihydroindene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 178.07939 Da
Monoisotopic Mass: 2.2
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]+	179.086666	134.8
[M+Na]+	201.068608	145.0
[M-H]-	177.072114	138.7
[M+NH4]+	196.113213	160.2
[M+K]+	217.042548	141.6
[M+H-H2O]+	161.076650	129.5
[M+HCOO]-	223.077591	157.4
[M+CH3COO]-	237.093241	180.7
[M+Na-2H]-	199.054056	140.8
[M]+	178.07884142	134.2
[M]-	178.07993858	134.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.