CID 988526

Bis(4-bromophenyl)glycolic acid

Structural Information

Molecular Formula

C₁₄H₁₀Br₂O₃

SMILES

C1=CC(=CC=C1C(C2=CC=C(C=C2)Br)(C(=O)O)O)Br

InChI

InChI=1S/C14H10Br2O3/c15-11-5-1-9(2-6-11)14(19,13(17)18)10-3-7-12(16)8-4-10/h1-8,19H,(H,17,18)

InChIKey

LHCOZCRYTQNSBL-UHFFFAOYSA-N

Compound name

2,2-bis(4-bromophenyl)-2-hydroxyacetic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 28
Patents: 383.89966 Da
Monoisotopic Mass: 3.7
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]+	384.90694	164.6
[M+Na]+	406.88888	173.4
[M-H]-	382.89238	171.4
[M+NH4]+	401.93348	179.4
[M+K]+	422.86282	157.7
[M+H-H2O]+	366.89692	172.2
[M+HCOO]-	428.89786	176.9
[M+CH3COO]-	442.91351	210.8
[M+Na-2H]-	404.87433	169.8
[M]+	383.89911	197.3
[M]-	383.90021	197.3

Literature stripe

literature stripe

Patent stripe

patents stripe