CID 2734759

2-(2,3-dichlorophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H8Cl2O
SMILES
C1=CC(=C(C(=C1)Cl)Cl)CCO
InChI
InChI=1S/C8H8Cl2O/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3,11H,4-5H2
InChIKey
FJJDHDLMGJKZKV-UHFFFAOYSA-N
Compound name
2-(2,3-dichlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

189.99522 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.002496 133.5
[M+Na]+ 212.984438 143.9
[M-H]- 188.987944 135.6
[M+NH4]+ 208.029043 154.2
[M+K]+ 228.958378 138.4
[M+H-H2O]+ 172.992480 130.4
[M+HCOO]- 234.993421 147.4
[M+CH3COO]- 249.009071 178.7
[M+Na-2H]- 210.969886 139.2
[M]+ 189.99467142 136.3
[M]- 189.99576858 136.3
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