CID 68137617

2416235-90-8

Structural Information

Molecular Formula

C₄H₃BrF₂O₂

SMILES

C1C(C1(F)F)(C(=O)O)Br

InChI

InChI=1S/C4H3BrF2O2/c5-3(2(8)9)1-4(3,6)7/h1H2,(H,8,9)

InChIKey

NXXRZIRNWKGADN-UHFFFAOYSA-N

Compound name

1-bromo-2,2-difluorocyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 199.92845 Da
Monoisotopic Mass: 1.2
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]+	200.93573	127.2
[M+Na]+	222.91767	142.1
[M-H]-	198.92117	131.9
[M+NH4]+	217.96227	148.3
[M+K]+	238.89161	132.1
[M+H-H2O]+	182.92571	128.6
[M+HCOO]-	244.92665	145.2
[M+CH3COO]-	258.94230	181.1
[M+Na-2H]-	220.90312	135.7
[M]+	199.92790	145.5
[M]-	199.92900	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe