CID 283830

1-(2-acetamidoethylthio)-2,2,2-trichloroethanol hydrochloride

Structural Information

Molecular Formula
C6H10Cl3NO2S
SMILES
CC(=O)NCCSC(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C6H10Cl3NO2S/c1-4(11)10-2-3-13-5(12)6(7,8)9/h5,12H,2-3H2,1H3,(H,10,11)
InChIKey
ABIMQIMERFMGOP-UHFFFAOYSA-N
Compound name
N-[2-(2,2,2-trichloro-1-hydroxyethyl)sulfanylethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.94977 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.95705 158.5
[M+Na]+ 287.93899 167.0
[M+NH4]+ 282.98359 165.3
[M+K]+ 303.91293 160.4
[M-H]- 263.94249 156.2
[M+Na-2H]- 285.92444 159.6
[M]+ 264.94922 160.0
[M]- 264.95032 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.