CID 2775851

Perfluorobut-2-ene

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

5
Annotation Hits: 1
References: 4497
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	128.1
[M+Na]+	222.97645	137.3
[M-H]-	198.97995	118.9
[M+NH4]+	218.02105	146.8
[M+K]+	238.95039	135.5
[M+H-H2O]+	182.98449	118.0
[M+HCOO]-	244.98543	139.1
[M+CH3COO]-	259.00108	184.1
[M+Na-2H]-	220.96190	130.4
[M]+	199.98668	114.7
[M]-	199.98778	114.7

Literature stripe

literature stripe

Patent stripe

patents stripe