CID 10587

2,2,2-trichloro-1-ethoxyethanol

Structural Information

Molecular Formula
C4H7Cl3O2
SMILES
CCOC(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C4H7Cl3O2/c1-2-9-3(8)4(5,6)7/h3,8H,2H2,1H3
InChIKey
DLHWKJDYXPNWAI-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-1-ethoxyethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

267
Patents

191.95116 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.95844 134.3
[M+Na]+ 214.94038 145.5
[M+NH4]+ 209.98498 142.2
[M+K]+ 230.91432 140.4
[M-H]- 190.94388 132.3
[M+Na-2H]- 212.92583 138.0
[M]+ 191.95061 136.0
[M]- 191.95171 136.0
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