CID 11403991

19190-61-5

Structural Information

Molecular Formula

C₇H₃F₉O₃

SMILES

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

InChI

InChI=1S/C7H3F9O3/c1-18-4(17)5(11,12)6(13,14)7(15,16)19-3(10)2(8)9/h1H3

InChIKey

MBDQOIDXSFHMFM-UHFFFAOYSA-N

Compound name

methyl 2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 71
Patents: 305.99384 Da
Monoisotopic Mass: 3.2
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]+	307.00112	150.4
[M+Na]+	328.98306	158.9
[M-H]-	304.98656	139.9
[M+NH4]+	324.02766	164.5
[M+K]+	344.95700	157.6
[M+H-H2O]+	288.99110	139.3
[M+HCOO]-	350.99204	157.9
[M+CH3COO]-	365.00769	202.5
[M+Na-2H]-	326.96851	151.1
[M]+	305.99329	139.1
[M]-	305.99439	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe