CID 131560637

3-fluorobicyclo[1.1.1]pentane-1-carboxaldehyde

Structural Information

Molecular Formula

SMILES

C1C2(CC1(C2)F)C=O

InChI

InChI=1S/C6H7FO/c7-6-1-5(2-6,3-6)4-8/h4H,1-3H2

InChIKey

FBYRKXGQVDRFDX-UHFFFAOYSA-N

Compound name

3-fluorobicyclo[1.1.1]pentane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 114.048096 Da
Monoisotopic Mass: 0.4
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]+	115.05537	136.4
[M+Na]+	137.03731	142.2
[M-H]-	113.04082	139.5
[M+NH4]+	132.08192	144.9
[M+K]+	153.01125	147.4
[M+H-H2O]+	97.045356	124.5
[M+HCOO]-	159.04630	150.2
[M+CH3COO]-	173.06195	200.2
[M+Na-2H]-	135.02276	144.7
[M]+	114.04755	160.5
[M]-	114.04864	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe