CID 58420740

(1,1,2,3,3,3-hexafluoropropoxy)acetic acid

Structural Information

Molecular Formula

C₅H₄F₆O₃

SMILES

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

InChI

InChI=1S/C5H4F6O3/c6-3(4(7,8)9)5(10,11)14-1-2(12)13/h3H,1H2,(H,12,13)

InChIKey

WHGFMLVGYMAHGO-UHFFFAOYSA-N

Compound name

2-(1,1,2,3,3,3-hexafluoropropoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 46
Patents: 226.00647 Da
Monoisotopic Mass: 2.0
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]+	227.01375	136.2
[M+Na]+	248.99569	144.3
[M-H]-	224.99919	127.8
[M+NH4]+	244.04029	153.2
[M+K]+	264.96963	143.5
[M+H-H2O]+	209.00373	127.5
[M+HCOO]-	271.00467	148.3
[M+CH3COO]-	285.02032	185.4
[M+Na-2H]-	246.98114	139.0
[M]+	226.00592	128.5
[M]-	226.00702	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe