CID 112007

1,1-diacetoxy-2,3-dichloropropane

Structural Information

Molecular Formula
C7H10Cl2O4
SMILES
CC(=O)OC(C(CCl)Cl)OC(=O)C
InChI
InChI=1S/C7H10Cl2O4/c1-4(10)12-7(6(9)3-8)13-5(2)11/h6-7H,3H2,1-2H3
InChIKey
MYDZFJITMAYGKQ-UHFFFAOYSA-N
Compound name
(1-acetyloxy-2,3-dichloropropyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.99562 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.00290 140.1
[M+Na]+ 250.98484 148.0
[M-H]- 226.98834 140.3
[M+NH4]+ 246.02944 159.5
[M+K]+ 266.95878 146.2
[M+H-H2O]+ 210.99288 137.7
[M+HCOO]- 272.99382 152.0
[M+CH3COO]- 287.00947 187.0
[M+Na-2H]- 248.97029 141.3
[M]+ 227.99507 146.5
[M]- 227.99617 146.5
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