CID 110834

4-chloro-alpha-(chloromethyl)benzenemethanol

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
2
Annotation Hits

1
References

78
Patents

189.99522 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.002496 133.7
[M+Na]+ 212.984438 142.9
[M-H]- 188.987944 135.5
[M+NH4]+ 208.029043 154.1
[M+K]+ 228.958378 137.8
[M+H-H2O]+ 172.992480 130.5
[M+HCOO]- 234.993421 146.7
[M+CH3COO]- 249.009071 178.4
[M+Na-2H]- 210.969886 138.9
[M]+ 189.99467142 135.6
[M]- 189.99576858 135.6
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