CID 33982

27683-60-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No patent data available for this compound.