CID 3287411

2-(2,6-dichlorophenoxy)ethanol

Structural Information

Molecular Formula
C8H8Cl2O2
SMILES
C1=CC(=C(C(=C1)Cl)OCCO)Cl
InChI
InChI=1S/C8H8Cl2O2/c9-6-2-1-3-7(10)8(6)12-5-4-11/h1-3,11H,4-5H2
InChIKey
HHKVIHAANGGFHP-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

205.99013 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.997406 136.1
[M+Na]+ 228.979348 146.5
[M-H]- 204.982854 138.3
[M+NH4]+ 224.023953 156.2
[M+K]+ 244.953288 141.5
[M+H-H2O]+ 188.987390 132.9
[M+HCOO]- 250.988331 150.4
[M+CH3COO]- 265.003981 180.6
[M+Na-2H]- 226.964796 141.9
[M]+ 205.98958142 140.4
[M]- 205.99067858 140.4
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

patents stripe