CID 16462

2-(2,4,5-trichlorophenoxy)ethanol

Structural Information

Molecular Formula
C8H7Cl3O2
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)OCCO
InChI
InChI=1S/C8H7Cl3O2/c9-5-3-7(11)8(4-6(5)10)13-2-1-12/h3-4,12H,1-2H2
InChIKey
ATKFMEGWDYLXBP-UHFFFAOYSA-N
Compound name
2-(2,4,5-trichlorophenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

5153
Patents

239.95116 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.95844 141.4
[M+Na]+ 262.94038 152.5
[M-H]- 238.94388 142.7
[M+NH4]+ 257.98498 160.3
[M+K]+ 278.91432 146.7
[M+H-H2O]+ 222.94842 139.1
[M+HCOO]- 284.94936 150.1
[M+CH3COO]- 298.96501 187.3
[M+Na-2H]- 260.92583 145.4
[M]+ 239.95061 146.0
[M]- 239.95171 146.0
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