CID 3086028

Acetic acid, chloro-, 2,3-dihydroxypropyl ester

Structural Information

Molecular Formula
C5H9ClO4
SMILES
C([C@H](COC(=O)CCl)O)O
InChI
InChI=1S/C5H9ClO4/c6-1-5(9)10-3-4(8)2-7/h4,7-8H,1-3H2/t4-/m1/s1
InChIKey
ZZFUAIXUSGVUMT-SCSAIBSYSA-N
Compound name
[(2R)-2,3-dihydroxypropyl] 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.01894 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02622 130.4
[M+Na]+ 191.00816 137.8
[M-H]- 167.01166 128.1
[M+NH4]+ 186.05276 150.3
[M+K]+ 206.98210 136.0
[M+H-H2O]+ 151.01620 127.3
[M+HCOO]- 213.01714 146.3
[M+CH3COO]- 227.03279 170.9
[M+Na-2H]- 188.99361 134.2
[M]+ 168.01839 133.0
[M]- 168.01949 133.0
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

No patent data available for this compound.