CID 146049256

2411298-89-8

Structural Information

Molecular Formula

C₄H₆Cl₃NO

SMILES

C1C(CN1)(C(Cl)(Cl)Cl)O

InChI

InChI=1S/C4H6Cl3NO/c5-4(6,7)3(9)1-8-2-3/h8-9H,1-2H2

InChIKey

QKEMUQJXJXSFJX-UHFFFAOYSA-N

Compound name

3-(trichloromethyl)azetidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.95149 Da
Monoisotopic Mass: 0.6
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]+	189.958766	124.7
[M+Na]+	211.940708	133.1
[M-H]-	187.944214	122.8
[M+NH4]+	206.985313	138.7
[M+K]+	227.914648	130.2
[M+H-H2O]+	171.948750	119.0
[M+HCOO]-	233.949691	127.9
[M+CH3COO]-	247.965341	176.2
[M+Na-2H]-	209.926156	131.7
[M]+	188.95094142	130.9
[M]-	188.95203858	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.