CID 3022706

1-chloro-2-ethoxyethanol

Structural Information

Molecular Formula
C4H9ClO2
SMILES
CCOCC(O)Cl
InChI
InChI=1S/C4H9ClO2/c1-2-7-3-4(5)6/h4,6H,2-3H2,1H3
InChIKey
KGYLDJSTXOWMEJ-UHFFFAOYSA-N
Compound name
1-chloro-2-ethoxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

124.029106 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.036382 121.4
[M+Na]+ 147.018324 129.6
[M-H]- 123.021830 120.6
[M+NH4]+ 142.062929 144.0
[M+K]+ 162.992264 128.1
[M+H-H2O]+ 107.026366 118.5
[M+HCOO]- 169.027307 139.4
[M+CH3COO]- 183.042957 167.2
[M+Na-2H]- 145.003772 127.4
[M]+ 124.02855742 124.0
[M]- 124.02965458 124.0
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