CID 69789

Flupropanate

Structural Information

Molecular Formula

C₃H₂F₄O₂

SMILES

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

InChI

InChI=1S/C3H2F4O2/c4-1(5)3(6,7)2(8)9/h1H,(H,8,9)

InChIKey

PXRROZVNOOEPPZ-UHFFFAOYSA-N

Compound name

2,2,3,3-tetrafluoropropanoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 13784
Patents: 145.99908 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]+	147.006356	119.4
[M+Na]+	168.988298	127.8
[M-H]-	144.991804	113.6
[M+NH4]+	164.032903	139.7
[M+K]+	184.962238	127.4
[M+H-H2O]+	128.996340	112.5
[M+HCOO]-	190.997281	135.5
[M+CH3COO]-	205.012931	171.7
[M+Na-2H]-	166.973746	123.4
[M]+	145.99853142	112.9
[M]-	145.99962858	112.9

Literature stripe

literature stripe

Patent stripe

patents stripe