CID 91045205

648-39-5

Structural Information

Molecular Formula

C₇HF₁₃

SMILES

C(=C(C(C(F)(F)F)(F)F)F)C(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C7HF13/c8-2(4(11,12)6(15,16)17)1-3(9,10)5(13,14)7(18,19)20/h1H

InChIKey

IMFRQXJTPNCKAO-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,5,5,6,6,7,7,7-tridecafluorohept-3-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 421
Patents: 331.98706 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]+	332.99434	157.6
[M+Na]+	354.97628	167.3
[M-H]-	330.97978	143.6
[M+NH4]+	350.02088	170.4
[M+K]+	370.95022	163.8
[M+H-H2O]+	314.98432	144.3
[M+HCOO]-	376.98526	158.9
[M+CH3COO]-	391.00091	208.9
[M+Na-2H]-	352.96173	159.3
[M]+	331.98651	136.6
[M]-	331.98761	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe