CID 110834

2-chloro-1-(4-chlorophenyl)ethanol

Structural Information

Molecular Formula
C8H8Cl2O
SMILES
C1=CC(=CC=C1C(CCl)O)Cl
InChI
InChI=1S/C8H8Cl2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,11H,5H2
InChIKey
FMVSIWSINRIEKZ-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

63
Patents

189.99522 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00250 134.4
[M+Na]+ 212.98444 149.0
[M+NH4]+ 208.02904 144.1
[M+K]+ 228.95838 141.4
[M-H]- 188.98794 136.6
[M+Na-2H]- 210.96989 142.0
[M]+ 189.99467 137.8
[M]- 189.99577 137.8
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