CID 66598555

4-fluoro-2-(propan-2-yloxy)phenol

Structural Information

Molecular Formula

C₉H₁₁FO₂

SMILES

CC(C)OC1=C(C=CC(=C1)F)O

InChI

InChI=1S/C9H11FO2/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6,11H,1-2H3

InChIKey

FAILPVQEUNQJOD-UHFFFAOYSA-N

Compound name

4-fluoro-2-propan-2-yloxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 170.07431 Da
Monoisotopic Mass: 1.7
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]+	171.08159	134.9
[M+Na]+	193.06353	146.8
[M+NH4]+	188.10813	142.6
[M+K]+	209.03747	141.2
[M-H]-	169.06703	135.1
[M+Na-2H]-	191.04898	140.5
[M]+	170.07376	136.5
[M]-	170.07486	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe