CID 16150

2,2,2-trichloro-1-phenylethanol

Structural Information

Molecular Formula
C8H7Cl3O
SMILES
C1=CC=C(C=C1)C(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C8H7Cl3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H
InChIKey
ABFRBTDJEKZSRM-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

102
Patents

223.95625 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.96353 140.4
[M+Na]+ 246.94547 149.2
[M-H]- 222.94897 141.2
[M+NH4]+ 241.99007 159.2
[M+K]+ 262.91941 143.4
[M+H-H2O]+ 206.95351 137.9
[M+HCOO]- 268.95445 146.5
[M+CH3COO]- 282.97010 182.7
[M+Na-2H]- 244.93092 145.8
[M]+ 223.95570 141.5
[M]- 223.95680 141.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe