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 138.4
[M+Na]+ 244.97427 148.0
[M-H]- 220.97777 139.4
[M+NH4]+ 240.01887 157.1
[M+K]+ 260.94821 143.3
[M+H-H2O]+ 204.98231 135.5
[M+HCOO]- 266.98325 150.6
[M+CH3COO]- 280.99890 181.0
[M+Na-2H]- 242.95972 142.7
[M]+ 221.98450 141.8
[M]- 221.98560 141.8
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.