CID 244558

2-(3,4-dichlorophenyl)ethanol

Structural Information

Molecular Formula
C8H8Cl2O
SMILES
C1=CC(=C(C=C1CCO)Cl)Cl
InChI
InChI=1S/C8H8Cl2O/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5,11H,3-4H2
InChIKey
GITOMJDYNUMCOV-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

206
Patents

189.99522 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00250 133.5
[M+Na]+ 212.98444 143.9
[M-H]- 188.98794 135.6
[M+NH4]+ 208.02904 154.2
[M+K]+ 228.95838 138.4
[M+H-H2O]+ 172.99248 130.4
[M+HCOO]- 234.99342 147.4
[M+CH3COO]- 249.00907 178.7
[M+Na-2H]- 210.96989 139.2
[M]+ 189.99467 136.3
[M]- 189.99577 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