CID 12035248

648-43-1

Structural Information

Molecular Formula

C₇H₇F₇O₂

SMILES

C1C(O1)COCC(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C7H7F7O2/c8-5(9,3-15-1-4-2-16-4)6(10,11)7(12,13)14/h4H,1-3H2

InChIKey

SRPBEKWTJQBCPF-UHFFFAOYSA-N

Compound name

2-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 256.03342 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]+	257.04070	136.5
[M+Na]+	279.02264	146.1
[M-H]-	255.02614	133.1
[M+NH4]+	274.06724	147.2
[M+K]+	294.99658	144.6
[M+H-H2O]+	239.03068	125.4
[M+HCOO]-	301.03162	148.0
[M+CH3COO]-	315.04727	196.0
[M+Na-2H]-	277.00809	143.5
[M]+	256.03287	132.2
[M]-	256.03397	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe