CID 92954

3-chloro-2-hydroxypropyl acrylate

Structural Information

Molecular Formula
C6H9ClO3
SMILES
C=CC(=O)OCC(CCl)O
InChI
InChI=1S/C6H9ClO3/c1-2-6(9)10-4-5(8)3-7/h2,5,8H,1,3-4H2
InChIKey
POTYORUTRLSAGZ-UHFFFAOYSA-N
Compound name
(3-chloro-2-hydroxypropyl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4551
Patents

164.02402 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.031296 130.7
[M+Na]+ 187.013238 138.5
[M-H]- 163.016744 129.7
[M+NH4]+ 182.057843 151.5
[M+K]+ 202.987178 136.2
[M+H-H2O]+ 147.021280 127.5
[M+HCOO]- 209.022221 147.8
[M+CH3COO]- 223.037871 173.5
[M+Na-2H]- 184.998686 134.5
[M]+ 164.02347142 133.5
[M]- 164.02456858 133.5
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