CID 63324700

2-(difluoromethoxy)-5-methylbenzaldehyde

Structural Information

Molecular Formula

C₉H₈F₂O₂

SMILES

CC1=CC(=C(C=C1)OC(F)F)C=O

InChI

InChI=1S/C9H8F2O2/c1-6-2-3-8(13-9(10)11)7(4-6)5-12/h2-5,9H,1H3

InChIKey

GCAPSKHMYYUTMB-UHFFFAOYSA-N

Compound name

2-(difluoromethoxy)-5-methylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 186.04924 Da
Monoisotopic Mass: 2.7
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]+	187.05652	139.3
[M+Na]+	209.03846	150.5
[M+NH4]+	204.08306	146.1
[M+K]+	225.01240	144.6
[M-H]-	185.04196	138.1
[M+Na-2H]-	207.02391	144.3
[M]+	186.04869	140.3
[M]-	186.04979	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe