CID 83402926

1314671-45-8

Structural Information

Molecular Formula

C₁₀H₉BrF₂O₂

SMILES

CC(C)(C1=C(C=C(C=C1F)Br)F)C(=O)O

InChI

InChI=1S/C10H9BrF2O2/c1-10(2,9(14)15)8-6(12)3-5(11)4-7(8)13/h3-4H,1-2H3,(H,14,15)

InChIKey

ZDHBDVLXNJGTNP-UHFFFAOYSA-N

Compound name

2-(4-bromo-2,6-difluorophenyl)-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.9754 Da
Monoisotopic Mass: 3.2
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]+	278.982676	151.7
[M+Na]+	300.964618	164.3
[M-H]-	276.968124	154.9
[M+NH4]+	296.009223	171.3
[M+K]+	316.938558	152.6
[M+H-H2O]+	260.972660	150.8
[M+HCOO]-	322.973601	168.0
[M+CH3COO]-	336.989251	194.7
[M+Na-2H]-	298.950066	155.9
[M]+	277.97485142	168.4
[M]-	277.97594858	168.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.