CID 44891059

674-55-5

Structural Information

Molecular Formula

C₃H₆BF₃O₂

SMILES

B(CCC(F)(F)F)(O)O

InChI

InChI=1S/C3H6BF3O2/c5-3(6,7)1-2-4(8)9/h8-9H,1-2H2

InChIKey

WWWFGWPBMSKDOH-UHFFFAOYSA-N

Compound name

3,3,3-trifluoropropylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 142.04129 Da
Monoisotopic Mass: None
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]+	143.04857	122.5
[M+Na]+	165.03051	130.1
[M-H]-	141.03401	116.5
[M+NH4]+	160.07511	142.7
[M+K]+	181.00445	129.2
[M+H-H2O]+	125.03855	116.5
[M+HCOO]-	187.03949	138.8
[M+CH3COO]-	201.05514	167.9
[M+Na-2H]-	163.01596	127.5
[M]+	142.04074	117.0
[M]-	142.04184	117.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe