CID 14620145

Perfluorobutanol

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C4HF9O/c5-1(6,3(9,10)11)2(7,8)4(12,13)14/h14H

InChIKey

QXJCOPITNGTALI-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,4-nonafluorobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4702
Patents: 235.98837 Da
Monoisotopic Mass: 2.8
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]+	236.99565	136.3
[M+Na]+	258.97759	145.9
[M-H]-	234.98109	125.0
[M+NH4]+	254.02219	152.7
[M+K]+	274.95153	143.8
[M+H-H2O]+	218.98563	126.3
[M+HCOO]-	280.98657	143.5
[M+CH3COO]-	295.00222	188.4
[M+Na-2H]-	256.96304	141.7
[M]+	235.98782	121.7
[M]-	235.98892	121.7

Literature stripe

literature stripe

Patent stripe

patents stripe