CID 86713

1-chloro-3-(2-hydroxyethoxy)propan-2-ol

Structural Information

Molecular Formula
C5H11ClO3
SMILES
C(COCC(CCl)O)O
InChI
InChI=1S/C5H11ClO3/c6-3-5(8)4-9-2-1-7/h5,7-8H,1-4H2
InChIKey
DIBFLXZFUXWPNS-UHFFFAOYSA-N
Compound name
1-chloro-3-(2-hydroxyethoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

154.03967 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04695 128.0
[M+Na]+ 177.02889 137.6
[M+NH4]+ 172.07349 135.2
[M+K]+ 193.00283 133.2
[M-H]- 153.03239 125.8
[M+Na-2H]- 175.01434 130.6
[M]+ 154.03912 128.6
[M]- 154.04022 128.6
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.