CID 81667

Nsc 30035

Structural Information

Molecular Formula
C7H10Cl2O5
SMILES
C(C(COC(=O)CCl)O)OC(=O)CCl
InChI
InChI=1S/C7H10Cl2O5/c8-1-6(11)13-3-5(10)4-14-7(12)2-9/h5,10H,1-4H2
InChIKey
QJIXLSMNMUIHMQ-UHFFFAOYSA-N
Compound name
[3-(2-chloroacetyl)oxy-2-hydroxypropyl] 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.99052 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.99780 143.1
[M+Na]+ 266.97974 150.7
[M-H]- 242.98324 141.8
[M+NH4]+ 262.02434 161.2
[M+K]+ 282.95368 148.1
[M+H-H2O]+ 226.98778 140.7
[M+HCOO]- 288.98872 154.7
[M+CH3COO]- 303.00437 185.5
[M+Na-2H]- 264.96519 145.1
[M]+ 243.98997 149.6
[M]- 243.99107 149.6
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

No patent data available for this compound.