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]+ 206.99741 136.1
[M+Na]+ 228.97935 146.5
[M-H]- 204.98285 138.3
[M+NH4]+ 224.02395 156.2
[M+K]+ 244.95329 141.5
[M+H-H2O]+ 188.98739 132.9
[M+HCOO]- 250.98833 150.4
[M+CH3COO]- 265.00398 180.6
[M+Na-2H]- 226.96480 141.9
[M]+ 205.98958 140.4
[M]- 205.99068 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