CID 2776291

1h,1h,8h-perfluoro-1-octanol

Structural Information

Molecular Formula

C₈H₄F₁₄O

SMILES

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

InChI

InChI=1S/C8H4F14O/c9-2(10)4(13,14)6(17,18)8(21,22)7(19,20)5(15,16)3(11,12)1-23/h2,23H,1H2

InChIKey

ISIIJJQHILZBPB-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 45
Patents: 382.00385 Da
Monoisotopic Mass: 4.4
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]+	383.01113	173.3
[M+Na]+	404.99307	173.3
[M+NH4]+	400.03767	172.7
[M+K]+	420.96701	172.6
[M-H]-	380.99657	169.7
[M+Na-2H]-	402.97852	172.1
[M]+	382.00330	172.2
[M]-	382.00440	172.2

Literature stripe

literature stripe

Patent stripe

patents stripe