CID 6437900

3-chloroallyl lactate

Structural Information

Molecular Formula
C6H9ClO3
SMILES
CC(C(=O)OC/C=C/Cl)O
InChI
InChI=1S/C6H9ClO3/c1-5(8)6(9)10-4-2-3-7/h2-3,5,8H,4H2,1H3/b3-2+
InChIKey
RHFDADZFLRVTLN-NSCUHMNNSA-N
Compound name
[(E)-3-chloroprop-2-enyl] 2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

164.02402 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03130 131.2
[M+Na]+ 187.01324 141.0
[M+NH4]+ 182.05784 138.0
[M+K]+ 202.98718 136.6
[M-H]- 163.01674 128.8
[M+Na-2H]- 184.99869 133.6
[M]+ 164.02347 131.8
[M]- 164.02457 131.8
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