CID 71425833

(heptafluoropropoxy)acetic acid

Structural Information

Molecular Formula

C₅H₃F₇O₃

SMILES

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

InChI

InChI=1S/C5H3F7O3/c6-3(7,4(8,9)10)5(11,12)15-1-2(13)14/h1H2,(H,13,14)

InChIKey

PHFJMGZBPBUZQS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 29
Patents: 243.99704 Da
Monoisotopic Mass: 2.2
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]+	245.00432	138.8
[M+Na]+	266.98626	147.6
[M-H]-	242.98976	129.4
[M+NH4]+	262.03086	155.1
[M+K]+	282.96020	146.4
[M+H-H2O]+	226.99430	129.7
[M+HCOO]-	288.99524	149.2
[M+CH3COO]-	303.01089	188.1
[M+Na-2H]-	264.97171	143.3
[M]+	243.99649	129.7
[M]-	243.99759	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe