CID 247188

15446-11-4

Structural Information

Molecular Formula
C8H6Cl4OS
SMILES
C1=CC(=CC=C1SC(C(Cl)(Cl)Cl)O)Cl
InChI
InChI=1S/C8H6Cl4OS/c9-5-1-3-6(4-2-5)14-7(13)8(10,11)12/h1-4,7,13H
InChIKey
DICBMYJMTJFHNR-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.88934 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.89662 151.2
[M+Na]+ 312.87856 159.5
[M-H]- 288.88206 151.3
[M+NH4]+ 307.92316 167.6
[M+K]+ 328.85250 153.6
[M+H-H2O]+ 272.88660 149.7
[M+HCOO]- 334.88754 146.9
[M+CH3COO]- 348.90319 193.4
[M+Na-2H]- 310.86401 151.8
[M]+ 289.88879 153.2
[M]- 289.88989 153.2
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.