CID 23177010

1261438-67-8

Structural Information

Molecular Formula

C₈H₆BrClO₂

SMILES

C1=CC(=C(C(=C1)Br)Cl)CC(=O)O

InChI

InChI=1S/C8H6BrClO2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4H2,(H,11,12)

InChIKey

IEIASDIYIMXQEK-UHFFFAOYSA-N

Compound name

2-(3-bromo-2-chlorophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 247.92397 Da
Monoisotopic Mass: 2.7
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]+	248.93125	140.3
[M+Na]+	270.91319	144.7
[M+NH4]+	265.95779	145.3
[M+K]+	286.88713	144.5
[M-H]-	246.91669	140.4
[M+Na-2H]-	268.89864	143.8
[M]+	247.92342	140.0
[M]-	247.92452	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe