CID 12361

2-(2-chloroethoxy)ethanol

Structural Information

Molecular Formula
C4H9ClO2
SMILES
C(COCCCl)O
InChI
InChI=1S/C4H9ClO2/c5-1-3-7-4-2-6/h6H,1-4H2
InChIKey
LECMBPWEOVZHKN-UHFFFAOYSA-N
Compound name
2-(2-chloroethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

2600
Patents

124.029106 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.03638 121.2
[M+Na]+ 147.01832 129.5
[M-H]- 123.02183 120.2
[M+NH4]+ 142.06293 143.8
[M+K]+ 162.99226 127.7
[M+H-H2O]+ 107.02637 118.2
[M+HCOO]- 169.02731 140.1
[M+CH3COO]- 183.04296 166.4
[M+Na-2H]- 145.00377 128.5
[M]+ 124.02856 124.4
[M]- 124.02965 124.4
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