CID 45120057

709031-99-2

Structural Information

Molecular Formula

C₁₀H₁₁FO

SMILES

C1CCC2=C(C1)C=CC(=C2F)O

InChI

InChI=1S/C10H11FO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h5-6,12H,1-4H2

InChIKey

WYKAQAIVGBXRFH-UHFFFAOYSA-N

Compound name

1-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 166.07939 Da
Monoisotopic Mass: 3.0
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]+	167.08667	131.4
[M+Na]+	189.06861	139.3
[M-H]-	165.07211	133.3
[M+NH4]+	184.11321	152.7
[M+K]+	205.04255	136.0
[M+H-H2O]+	149.07665	125.4
[M+HCOO]-	211.07759	150.4
[M+CH3COO]-	225.09324	176.8
[M+Na-2H]-	187.05406	138.0
[M]+	166.07884	126.8
[M]-	166.07994	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe