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 149.8
[M+Na]+ 287.93899 156.4
[M-H]- 263.94249 148.0
[M+NH4]+ 282.98359 167.2
[M+K]+ 303.91293 151.3
[M+H-H2O]+ 247.94703 148.5
[M+HCOO]- 309.94797 150.4
[M+CH3COO]- 323.96362 190.8
[M+Na-2H]- 285.92444 150.0
[M]+ 264.94922 152.9
[M]- 264.95032 152.9
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.