CID 45108266

((1-3 dichlopropan-2-yl)oxy)methyl acetate

Structural Information

Molecular Formula
C6H10Cl2O3
SMILES
CC(=O)OCOC(CCl)CCl
InChI
InChI=1S/C6H10Cl2O3/c1-5(9)10-4-11-6(2-7)3-8/h6H,2-4H2,1H3
InChIKey
HCPWSZPHLYSAAF-UHFFFAOYSA-N
Compound name
1,3-dichloropropan-2-yloxymethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

200.0007 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00798 135.9
[M+Na]+ 222.98992 144.2
[M-H]- 198.99342 135.8
[M+NH4]+ 218.03452 156.5
[M+K]+ 238.96386 141.8
[M+H-H2O]+ 182.99796 133.3
[M+HCOO]- 244.99890 149.3
[M+CH3COO]- 259.01455 181.9
[M+Na-2H]- 220.97537 139.7
[M]+ 200.00015 142.2
[M]- 200.00125 142.2
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