CID 67745

Perfluoro-1-butene

Structural Information

Molecular Formula

C₄F₈

SMILES

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

InChI

InChI=1S/C4F8/c5-1(2(6)7)3(8,9)4(10,11)12

InChIKey

ZVJOQYFQSQJDDX-UHFFFAOYSA-N

Compound name

1,1,2,3,3,4,4,4-octafluorobut-1-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3348
Patents: 199.98723 Da
Monoisotopic Mass: 2.6
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]+	200.99451	168.7
[M+Na]+	222.97645	170.8
[M+NH4]+	218.02105	169.3
[M+K]+	238.95039	167.7
[M-H]-	198.97995	160.5
[M+Na-2H]-	220.96190	166.5
[M]+	199.98668	166.3
[M]-	199.98778	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe