CID 170911520

4,4-dichloro-2-fluorobutan-1-ol

Structural Information

Molecular Formula

C₄H₇Cl₂FO

SMILES

C(C(CO)F)C(Cl)Cl

InChI

InChI=1S/C4H7Cl2FO/c5-4(6)1-3(7)2-8/h3-4,8H,1-2H2

InChIKey

BJUQIYOGWFBCKX-UHFFFAOYSA-N

Compound name

4,4-dichloro-2-fluorobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 159.9858 Da
Monoisotopic Mass: 1.7
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]+	160.99308	124.8
[M+Na]+	182.97502	133.1
[M-H]-	158.97852	122.0
[M+NH4]+	178.01962	146.1
[M+K]+	198.94896	129.5
[M+H-H2O]+	142.98306	122.1
[M+HCOO]-	204.98400	135.6
[M+CH3COO]-	218.99965	173.8
[M+Na-2H]-	180.96047	128.5
[M]+	159.98525	125.1
[M]-	159.98635	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.