CID 95345

1,1'-oxybis(2-chloroethanol)

Structural Information

Molecular Formula
C4H8Cl2O3
SMILES
C(C(O)OC(CCl)O)Cl
InChI
InChI=1S/C4H8Cl2O3/c5-1-3(7)9-4(8)2-6/h3-4,7-8H,1-2H2
InChIKey
ZSHRTYLLCDMOML-UHFFFAOYSA-N
Compound name
2-chloro-1-(2-chloro-1-hydroxyethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.98505 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.99233 128.8
[M+Na]+ 196.97427 138.8
[M+NH4]+ 192.01887 136.1
[M+K]+ 212.94821 134.8
[M-H]- 172.97777 126.3
[M+Na-2H]- 194.95972 131.4
[M]+ 173.98450 129.7
[M]- 173.98560 129.7
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.