CID 20794698

1021231-72-0

Structural Information

Molecular Formula

C₁₀H₁₁FO₂

SMILES

CC(C)OC1=C(C=C(C=C1)C=O)F

InChI

InChI=1S/C10H11FO2/c1-7(2)13-10-4-3-8(6-12)5-9(10)11/h3-7H,1-2H3

InChIKey

KKQXWQKNWPXKME-UHFFFAOYSA-N

Compound name

3-fluoro-4-propan-2-yloxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 182.07431 Da
Monoisotopic Mass: 2.3
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]+	183.081586	135.0
[M+Na]+	205.063528	143.9
[M-H]-	181.067034	137.9
[M+NH4]+	200.108133	155.4
[M+K]+	221.037468	142.4
[M+H-H2O]+	165.071570	128.7
[M+HCOO]-	227.072511	157.9
[M+CH3COO]-	241.088161	183.3
[M+Na-2H]-	203.048976	139.6
[M]+	182.07376142	136.5
[M]-	182.07485858	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe