CID 547683

1-chloro-3-ethoxypropan-2-ol

Structural Information

Molecular Formula
C5H11ClO2
SMILES
CCOCC(CCl)O
InChI
InChI=1S/C5H11ClO2/c1-2-8-4-5(7)3-6/h5,7H,2-4H2,1H3
InChIKey
XHIINWKFCZSGNY-UHFFFAOYSA-N
Compound name
1-chloro-3-ethoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

138.04475 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05203 124.7
[M+Na]+ 161.03397 135.4
[M+NH4]+ 156.07857 132.9
[M+K]+ 177.00791 130.1
[M-H]- 137.03747 123.7
[M+Na-2H]- 159.01942 128.5
[M]+ 138.04420 126.0
[M]- 138.04530 126.0
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