CID 2782420

Bromofluoroacetic acid

Structural Information

Molecular Formula

C₂H₂BrFO₂

SMILES

C(C(=O)O)(F)Br

InChI

InChI=1S/C2H2BrFO2/c3-1(4)2(5)6/h1H,(H,5,6)

InChIKey

ICTXGKNZADORBH-UHFFFAOYSA-N

Compound name

2-bromo-2-fluoroacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 133
Patents: 155.92223 Da
Monoisotopic Mass: 1.1
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]+	156.92951	120.7
[M+Na]+	178.91145	132.3
[M-H]-	154.91495	121.8
[M+NH4]+	173.95605	144.2
[M+K]+	194.88539	122.9
[M+H-H2O]+	138.91949	121.3
[M+HCOO]-	200.92043	139.5
[M+CH3COO]-	214.93608	171.2
[M+Na-2H]-	176.89690	127.3
[M]+	155.92168	136.7
[M]-	155.92278	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe