CID 33983

1-(3-chlorophenyl)-2,2-dichloroethanol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

223.95625 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.96353 138.5
[M+Na]+ 246.94547 147.4
[M-H]- 222.94897 139.3
[M+NH4]+ 241.99007 157.3
[M+K]+ 262.91941 141.8
[M+H-H2O]+ 206.95351 136.1
[M+HCOO]- 268.95445 145.2
[M+CH3COO]- 282.97010 184.9
[M+Na-2H]- 244.93092 141.6
[M]+ 223.95570 140.0
[M]- 223.95680 140.0
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