CID 10856353

49800-59-1

Structural Information

Molecular Formula

C₁₁H₁₁FO₂

SMILES

COC1=C2CCCC(=O)C2=C(C=C1)F

InChI

InChI=1S/C11H11FO2/c1-14-10-6-5-8(12)11-7(10)3-2-4-9(11)13/h5-6H,2-4H2,1H3

InChIKey

UKTORPDEFRENTM-UHFFFAOYSA-N

Compound name

8-fluoro-5-methoxy-3,4-dihydro-2H-naphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 194.07431 Da
Monoisotopic Mass: 2.1
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]+	195.08159	140.0
[M+Na]+	217.06353	153.0
[M+NH4]+	212.10813	148.9
[M+K]+	233.03747	145.8
[M-H]-	193.06703	141.5
[M+Na-2H]-	215.04898	145.5
[M]+	194.07376	142.2
[M]-	194.07486	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe