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
4
Annotation Hits

4
References

2909
Patents

124.029106 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.036382 121.2
[M+Na]+ 147.018324 129.5
[M-H]- 123.021830 120.2
[M+NH4]+ 142.062929 143.8
[M+K]+ 162.992264 127.7
[M+H-H2O]+ 107.026366 118.2
[M+HCOO]- 169.027307 140.1
[M+CH3COO]- 183.042957 166.4
[M+Na-2H]- 145.003772 128.5
[M]+ 124.02855742 124.4
[M]- 124.02965458 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