CID 15271394

169558-34-3

Structural Information

Molecular Formula

C₁₀H₈F₂O

SMILES

C1CC(C(=O)C2=CC=CC=C21)(F)F

InChI

InChI=1S/C10H8F2O/c11-10(12)6-5-7-3-1-2-4-8(7)9(10)13/h1-4H,5-6H2

InChIKey

KBYBCCGRBLSHHE-UHFFFAOYSA-N

Compound name

2,2-difluoro-3,4-dihydronaphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 182.05432 Da
Monoisotopic Mass: 2.8
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]+	183.061596	132.9
[M+Na]+	205.043538	142.6
[M-H]-	181.047044	135.3
[M+NH4]+	200.088143	156.1
[M+K]+	221.017478	139.3
[M+H-H2O]+	165.051580	126.1
[M+HCOO]-	227.052521	152.5
[M+CH3COO]-	241.068171	180.8
[M+Na-2H]-	203.028986	140.3
[M]+	182.05377142	128.6
[M]-	182.05486858	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe