CID 78984

356-69-4

Structural Information

Molecular Formula

C₅H₃F₇O₃

SMILES

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

InChI

InChI=1S/C5H3F7O3/c1-14-2(13)3(6,7)4(8,9)15-5(10,11)12/h1H3

InChIKey

CTFPDAPIMZVSSO-UHFFFAOYSA-N

Compound name

methyl 2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 22
Patents: 243.99704 Da
Monoisotopic Mass: 2.6
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	138.7
[M+Na]+	266.98626	148.0
[M-H]-	242.98976	130.7
[M+NH4]+	262.03086	155.7
[M+K]+	282.96020	147.6
[M+H-H2O]+	226.99430	129.4
[M+HCOO]-	288.99524	150.6
[M+CH3COO]-	303.01089	190.1
[M+Na-2H]-	264.97171	143.6
[M]+	243.99649	131.4
[M]-	243.99759	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe