CID 2758138

2-(3,5-dichlorophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H8Cl2O
SMILES
C1=C(C=C(C=C1Cl)Cl)CCO
InChI
InChI=1S/C8H8Cl2O/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5,11H,1-2H2
InChIKey
HTPYSVJHLUKSRE-UHFFFAOYSA-N
Compound name
2-(3,5-dichlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
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

No literature data available for this compound.

Patent stripe

patents stripe