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

18
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 129.2
[M+Na]+ 177.02889 136.5
[M-H]- 153.03239 126.7
[M+NH4]+ 172.07349 149.8
[M+K]+ 193.00283 134.3
[M+H-H2O]+ 137.03693 126.1
[M+HCOO]- 199.03787 145.6
[M+CH3COO]- 213.05352 169.5
[M+Na-2H]- 175.01434 134.2
[M]+ 154.03912 131.7
[M]- 154.04022 131.7
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

patents stripe