CID 13341669

2-((2,6-dichlorobenzyl)oxy)ethanol

Structural Information

Molecular Formula
C9H10Cl2O2
SMILES
C1=CC(=C(C(=C1)Cl)COCCO)Cl
InChI
InChI=1S/C9H10Cl2O2/c10-8-2-1-3-9(11)7(8)6-13-5-4-12/h1-3,12H,4-6H2
InChIKey
MCVIDUDFKDIJMZ-UHFFFAOYSA-N
Compound name
2-[(2,6-dichlorophenyl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

220.00578 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.01306 140.8
[M+Na]+ 242.99500 150.7
[M-H]- 218.99850 142.8
[M+NH4]+ 238.03960 160.3
[M+K]+ 258.96894 145.5
[M+H-H2O]+ 203.00304 137.3
[M+HCOO]- 265.00398 154.7
[M+CH3COO]- 279.01963 183.6
[M+Na-2H]- 240.98045 146.0
[M]+ 220.00523 145.4
[M]- 220.00633 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe