CID 215437

35695-70-6

Structural Information

Molecular Formula

C₃H₆Cl₃NO

SMILES

C(C(C(Cl)(Cl)Cl)O)N

InChI

InChI=1S/C3H6Cl3NO/c4-3(5,6)2(8)1-7/h2,8H,1,7H2

InChIKey

PUFKULWKRHGOIL-UHFFFAOYSA-N

Compound name

3-amino-1,1,1-trichloropropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 176.95149 Da
Monoisotopic Mass: 0.5
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]+	177.95877	131.2
[M+Na]+	199.94071	139.5
[M-H]-	175.94421	128.6
[M+NH4]+	194.98531	151.2
[M+K]+	215.91465	134.9
[M+H-H2O]+	159.94875	130.2
[M+HCOO]-	221.94969	137.6
[M+CH3COO]-	235.96534	176.8
[M+Na-2H]-	197.92616	135.4
[M]+	176.95094	130.3
[M]-	176.95204	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe