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 130.9
[M+Na]+ 187.01324 138.8
[M-H]- 163.01674 130.0
[M+NH4]+ 182.05784 151.8
[M+K]+ 202.98718 136.5
[M+H-H2O]+ 147.02128 127.8
[M+HCOO]- 209.02222 148.0
[M+CH3COO]- 223.03787 172.8
[M+Na-2H]- 184.99869 134.7
[M]+ 164.02347 133.6
[M]- 164.02457 133.6
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