CID 53682984

3,3-difluoropentan-1-ol

Structural Information

Molecular Formula

C₅H₁₀F₂O

SMILES

CCC(CCO)(F)F

InChI

InChI=1S/C5H10F2O/c1-2-5(6,7)3-4-8/h8H,2-4H2,1H3

InChIKey

QVCDXFJGNUGCER-UHFFFAOYSA-N

Compound name

3,3-difluoropentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 124.06997 Da
Monoisotopic Mass: 1.5
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]+	125.07725	122.7
[M+Na]+	147.05919	130.4
[M-H]-	123.06269	119.2
[M+NH4]+	142.10379	144.5
[M+K]+	163.03313	129.6
[M+H-H2O]+	107.06723	117.5
[M+HCOO]-	169.06817	141.9
[M+CH3COO]-	183.08382	169.3
[M+Na-2H]-	145.04464	129.3
[M]+	124.06942	120.2
[M]-	124.07052	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe