CID 69636

Hexafluoro-1,3-butadiene

Structural Information

Molecular Formula

C₄F₆

SMILES

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

InChI

InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10

InChIKey

LGPPATCNSOSOQH-UHFFFAOYSA-N

Compound name

1,1,2,3,4,4-hexafluorobuta-1,3-diene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 6448
Patents: 161.99042 Da
Monoisotopic Mass: 1.8
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]+	162.997696	122.0
[M+Na]+	184.979638	130.1
[M-H]-	160.983144	114.9
[M+NH4]+	180.024243	142.1
[M+K]+	200.953578	128.5
[M+H-H2O]+	144.987680	112.8
[M+HCOO]-	206.988621	136.5
[M+CH3COO]-	221.004271	178.8
[M+Na-2H]-	182.965086	121.8
[M]+	161.98987142	110.8
[M]-	161.99096858	110.8

Literature stripe

literature stripe

Patent stripe

patents stripe