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

371
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 131.9
[M+Na]+ 214.94038 140.8
[M-H]- 190.94388 129.9
[M+NH4]+ 209.98498 152.1
[M+K]+ 230.91432 136.8
[M+H-H2O]+ 174.94842 131.1
[M+HCOO]- 236.94936 138.0
[M+CH3COO]- 250.96501 177.7
[M+Na-2H]- 212.92583 136.9
[M]+ 191.95061 134.6
[M]- 191.95171 134.6
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

No patent data available for this compound.