CID 85821399

41641-22-9

Structural Information

Molecular Formula

SMILES

C1C(C1(F)Cl)CO

InChI

InChI=1S/C4H6ClFO/c5-4(6)1-3(4)2-7/h3,7H,1-2H2

InChIKey

AQLABFYFYPHIOV-UHFFFAOYSA-N

Compound name

(2-chloro-2-fluorocyclopropyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 124.00912 Da
Monoisotopic Mass: 0.8
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]+	125.01640	115.0
[M+Na]+	146.99834	126.5
[M-H]-	123.00184	117.7
[M+NH4]+	142.04294	134.7
[M+K]+	162.97228	123.7
[M+H-H2O]+	107.00638	111.4
[M+HCOO]-	169.00732	132.8
[M+CH3COO]-	183.02297	170.1
[M+Na-2H]-	144.98379	123.0
[M]+	124.00857	117.5
[M]-	124.00967	117.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe