CID 28843

17936-73-1

Structural Information

Molecular Formula
C9H9Cl3O
SMILES
CC1=CC=C(C=C1)C(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C9H9Cl3O/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2-5,8,13H,1H3
InChIKey
YRIYSOAVLYSFEW-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-1-(4-methylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

237.9719 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.97918 148.5
[M+Na]+ 260.96112 162.5
[M+NH4]+ 256.00572 157.5
[M+K]+ 276.93506 155.3
[M-H]- 236.96462 149.6
[M+Na-2H]- 258.94657 155.1
[M]+ 237.97135 151.8
[M]- 237.97245 151.8
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

patents stripe