CID 2775847

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

Structural Information

Molecular Formula

C₄H₂F₈

SMILES

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

InChI

InChI=1S/C4H2F8/c5-1-2(6,7)3(8,9)4(10,11)12/h1H2

InChIKey

XALFNZSGFNPWSM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1315
Patents: 202.00287 Da
Monoisotopic Mass: 3.0
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	130.3
[M+Na]+	224.99209	139.9
[M-H]-	200.99559	121.2
[M+NH4]+	220.03669	148.9
[M+K]+	240.96603	138.2
[M+H-H2O]+	185.00013	120.5
[M+HCOO]-	247.00107	141.3
[M+CH3COO]-	261.01672	185.4
[M+Na-2H]-	222.97754	135.6
[M]+	202.00232	118.3
[M]-	202.00342	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe