CID 2773282

354-08-5

Structural Information

Molecular Formula

C₂HBrF₂O₂

SMILES

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

InChI

InChI=1S/C2HBrF2O2/c3-2(4,5)1(6)7/h(H,6,7)

InChIKey

LZCMQBRCQWOSHZ-UHFFFAOYSA-N

Compound name

2-bromo-2,2-difluoroacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1146
Patents: 173.9128 Da
Monoisotopic Mass: 1.3
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]+	174.92008	124.3
[M+Na]+	196.90202	136.5
[M-H]-	172.90552	124.2
[M+NH4]+	191.94662	147.2
[M+K]+	212.87596	126.6
[M+H-H2O]+	156.91006	124.5
[M+HCOO]-	218.91100	141.5
[M+CH3COO]-	232.92665	173.3
[M+Na-2H]-	194.88747	131.9
[M]+	173.91225	139.1
[M]-	173.91335	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe