CID 57825151

1092448-34-4

Structural Information

Molecular Formula

C₁₀H₁₀F₂O₂

SMILES

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

InChI

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

InChIKey

KIOHHRYPIBYDHR-UHFFFAOYSA-N

Compound name

1-[4-(difluoromethoxy)-2-methylphenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 200.06488 Da
Monoisotopic Mass: 2.9
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]+	201.072156	137.9
[M+Na]+	223.054098	146.6
[M-H]-	199.057604	139.4
[M+NH4]+	218.098703	157.4
[M+K]+	239.028038	145.0
[M+H-H2O]+	183.062140	130.6
[M+HCOO]-	245.063081	158.7
[M+CH3COO]-	259.078731	187.0
[M+Na-2H]-	221.039546	140.6
[M]+	200.06433142	137.6
[M]-	200.06542858	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe