CID 67832

1h,4h-octafluorobutane

Structural Information

Molecular Formula

C₄H₂F₈

SMILES

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

InChI

InChI=1S/C4H2F8/c5-1(6)3(9,10)4(11,12)2(7)8/h1-2H

InChIKey

LKLFXAVIFCLZQS-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4-octafluorobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3673
Patents: 202.00287 Da
Monoisotopic Mass: 3.3
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]+	203.01015	129.4
[M+Na]+	224.99209	138.1
[M-H]-	200.99559	120.1
[M+NH4]+	220.03669	147.8
[M+K]+	240.96603	136.8
[M+H-H2O]+	185.00013	119.2
[M+HCOO]-	247.00107	140.1
[M+CH3COO]-	261.01672	187.1
[M+Na-2H]-	222.97754	131.7
[M]+	202.00232	116.9
[M]-	202.00342	116.9

Literature stripe

literature stripe

Patent stripe

patents stripe