CID 2775851

Octafluoro-2-butene

Structural Information

Molecular Formula

C₄F₈

SMILES

C(=C(/C(F)(F)F)\F)(\C(F)(F)F)/F

InChI

InChI=1S/C4F8/c5-1(3(7,8)9)2(6)4(10,11)12/b2-1+

InChIKey

WSJULBMCKQTTIG-OWOJBTEDSA-N

Compound name

(E)-1,1,1,2,3,4,4,4-octafluorobut-2-ene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 2804
Patents: 199.98723 Da
Monoisotopic Mass: 2.5
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	167.8
[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