CID 101035970

C30h17f39sn

Structural Information

Molecular Formula

C₈H₄F₁₃

SMILES

[CH2]CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C8H4F13/c1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2

InChIKey

HCQXIHYJCFSLHP-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 347.01053 Da
Monoisotopic Mass: 5.6
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]+	348.017806	164.4
[M+Na]+	369.999748	173.7
[M-H]-	346.003254	150.5
[M+NH4]+	365.044353	176.5
[M+K]+	385.973688	170.6
[M+H-H2O]+	330.007790	151.2
[M+HCOO]-	392.008731	164.6
[M+CH3COO]-	406.024381	213.9
[M+Na-2H]-	367.985196	167.6
[M]+	347.00998142	144.3
[M]-	347.01107858	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.