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
4
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]+ 192.958436 131.9
[M+Na]+ 214.940378 140.8
[M-H]- 190.943884 129.9
[M+NH4]+ 209.984983 152.1
[M+K]+ 230.914318 136.8
[M+H-H2O]+ 174.948420 131.1
[M+HCOO]- 236.949361 138.0
[M+CH3COO]- 250.965011 177.7
[M+Na-2H]- 212.925826 136.9
[M]+ 191.95061142 134.6
[M]- 191.95170858 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

literature stripe

Patent stripe

patents stripe