CID 8444

2-(2,4-dichlorophenoxy)ethanol

Structural Information

Molecular Formula
C8H8Cl2O2
SMILES
C1=CC(=C(C=C1Cl)Cl)OCCO
InChI
InChI=1S/C8H8Cl2O2/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5,11H,3-4H2
InChIKey
PCCMNBRZMKANQD-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

153
Patents

205.99013 Da
Monoisotopic Mass

3.0
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

literature stripe

Patent stripe

patents stripe