CID 3057231

2,4-dichlorophenoxy ethanediol

Structural Information

Molecular Formula
C8H8Cl2O3
SMILES
C1=CC(=C(C=C1Cl)Cl)OC(CO)O
InChI
InChI=1S/C8H8Cl2O3/c9-5-1-2-7(6(10)3-5)13-8(12)4-11/h1-3,8,11-12H,4H2
InChIKey
HMJHOMSWBBBOJV-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenoxy)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.98505 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.99233 139.9
[M+Na]+ 244.97427 153.2
[M+NH4]+ 240.01887 148.0
[M+K]+ 260.94821 147.3
[M-H]- 220.97777 140.5
[M+Na-2H]- 242.95972 145.7
[M]+ 221.98450 142.4
[M]- 221.98560 142.4
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

No patent data available for this compound.