CID 236234

3674-10-0

Structural Information

Molecular Formula
C5H8Cl2O2
SMILES
CC(=O)OC(CCl)CCl
InChI
InChI=1S/C5H8Cl2O2/c1-4(8)9-5(2-6)3-7/h5H,2-3H2,1H3
InChIKey
GMJXGKIVPQLXCD-UHFFFAOYSA-N
Compound name
1,3-dichloropropan-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

169.99013 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.99741 128.9
[M+Na]+ 192.97935 137.7
[M-H]- 168.98285 129.0
[M+NH4]+ 188.02395 150.7
[M+K]+ 208.95329 135.0
[M+H-H2O]+ 152.98739 126.7
[M+HCOO]- 214.98833 142.4
[M+CH3COO]- 229.00398 177.0
[M+Na-2H]- 190.96480 133.2
[M]+ 169.98958 133.4
[M]- 169.99068 133.4
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.