CID 11762324

Oxirane, (heptadecafluorooctyl)-

Structural Information

Molecular Formula

C₁₀H₃F₁₇O

SMILES

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

InChI

InChI=1S/C10H3F17O/c11-3(12,2-1-28-2)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2H,1H2

InChIKey

WYQHIAPIABYQRN-UHFFFAOYSA-N

Compound name

2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)oxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 461.99124 Da
Monoisotopic Mass: 5.7
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]+	462.998516	165.4
[M+Na]+	484.980458	174.6
[M-H]-	460.983964	153.0
[M+NH4]+	480.025063	173.3
[M+K]+	500.954398	171.4
[M+H-H2O]+	444.988500	148.8
[M+HCOO]-	506.989441	189.7
[M+CH3COO]-	521.005091	232.6
[M+Na-2H]-	482.965906	170.8
[M]+	461.99069142	143.2
[M]-	461.99178858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe