CID 163201607

Dehydroxy-demethylene-tfhfese

Structural Information

Molecular Formula

C₆H₃F₁₀OS

SMILES

[CH2]SC(C(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F

InChI

InChI=1S/C6H3F10OS/c1-18-3(8,9)2(7)17-6(15,16)4(10,11)5(12,13)14/h2H,1H2

InChIKey

SQCDMAHMWJWARM-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 312.9745 Da
Monoisotopic Mass: 4.6
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]+	313.981776	151.7
[M+Na]+	335.963718	160.0
[M-H]-	311.967224	139.9
[M+NH4]+	331.008323	165.7
[M+K]+	351.937658	157.4
[M+H-H2O]+	295.971760	139.2
[M+HCOO]-	357.972701	152.8
[M+CH3COO]-	371.988351	204.0
[M+Na-2H]-	333.949166	152.0
[M]+	312.97395142	139.9
[M]-	312.97504858	139.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.