CID 107540660

1692064-62-2

Structural Information

Molecular Formula

C₁₀H₁₀BrFO₃

SMILES

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

InChI

InChI=1S/C10H10BrFO3/c1-5(2)15-7-4-3-6(10(13)14)8(11)9(7)12/h3-5H,1-2H3,(H,13,14)

InChIKey

WVUGWLMDRUERHM-UHFFFAOYSA-N

Compound name

2-bromo-3-fluoro-4-propan-2-yloxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 275.97974 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]+	276.987016	150.1
[M+Na]+	298.968958	161.9
[M-H]-	274.972464	154.3
[M+NH4]+	294.013563	169.6
[M+K]+	314.942898	151.2
[M+H-H2O]+	258.977000	149.4
[M+HCOO]-	320.977941	168.1
[M+CH3COO]-	334.993591	194.6
[M+Na-2H]-	296.954406	153.1
[M]+	275.97919142	169.2
[M]-	275.98028858	169.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.