CID 79111183

3,5-difluoro-4-isopropoxybenzaldehyde

Structural Information

Molecular Formula

C₁₀H₁₀F₂O₂

SMILES

CC(C)OC1=C(C=C(C=C1F)C=O)F

InChI

InChI=1S/C10H10F2O2/c1-6(2)14-10-8(11)3-7(5-13)4-9(10)12/h3-6H,1-2H3

InChIKey

FCGBFCNZBDWSQA-UHFFFAOYSA-N

Compound name

3,5-difluoro-4-propan-2-yloxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 200.06488 Da
Monoisotopic Mass: 2.4
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]+	201.07216	137.0
[M+Na]+	223.05410	146.9
[M-H]-	199.05760	138.9
[M+NH4]+	218.09870	156.9
[M+K]+	239.02804	144.9
[M+H-H2O]+	183.06214	129.9
[M+HCOO]-	245.06308	158.8
[M+CH3COO]-	259.07873	187.3
[M+Na-2H]-	221.03955	140.4
[M]+	200.06433	137.7
[M]-	200.06543	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe