CID 23138773

853804-82-7

Structural Information

Molecular Formula

C₁₁H₁₀F₂O

SMILES

C1CC1C(=O)CC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C11H10F2O/c12-9-4-3-8(10(13)6-9)5-11(14)7-1-2-7/h3-4,6-7H,1-2,5H2

InChIKey

UKRZQYWMQREIPI-UHFFFAOYSA-N

Compound name

1-cyclopropyl-2-(2,4-difluorophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 196.06998 Da
Monoisotopic Mass: 2.2
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]+	197.07726	133.8
[M+Na]+	219.05920	144.0
[M-H]-	195.06270	139.2
[M+NH4]+	214.10380	148.6
[M+K]+	235.03314	140.3
[M+H-H2O]+	179.06724	125.6
[M+HCOO]-	241.06818	155.6
[M+CH3COO]-	255.08383	188.7
[M+Na-2H]-	217.04465	138.1
[M]+	196.06943	134.2
[M]-	196.07053	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe