CID 55265688

874279-88-6

Structural Information

Molecular Formula

C₁₁H₁₀F₂O

SMILES

C1CC2=CC=CC=C2C(=O)C(C1)(F)F

InChI

InChI=1S/C11H10F2O/c12-11(13)7-3-5-8-4-1-2-6-9(8)10(11)14/h1-2,4,6H,3,5,7H2

InChIKey

XKIOHCHHAWSCTB-UHFFFAOYSA-N

Compound name

6,6-difluoro-8,9-dihydro-7H-benzo[7]annulen-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 196.06998 Da
Monoisotopic Mass: 3.1
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	131.5
[M+Na]+	219.05920	139.0
[M-H]-	195.06270	135.0
[M+NH4]+	214.10380	152.7
[M+K]+	235.03314	139.4
[M+H-H2O]+	179.06724	126.1
[M+HCOO]-	241.06818	150.3
[M+CH3COO]-	255.08383	185.5
[M+Na-2H]-	217.04465	138.3
[M]+	196.06943	124.8
[M]-	196.07053	124.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.