CID 155978386

1-chloro-3-(2-chloroethoxy)propan-2-one

Structural Information

Molecular Formula
C5H8Cl2O2
SMILES
C(CCl)OCC(=O)CCl
InChI
InChI=1S/C5H8Cl2O2/c6-1-2-9-4-5(8)3-7/h1-4H2
InChIKey
FKVCRQLTNSSRJL-UHFFFAOYSA-N
Compound name
1-chloro-3-(2-chloroethoxy)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

169.99013 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.99741 129.1
[M+Na]+ 192.97935 138.0
[M-H]- 168.98285 129.0
[M+NH4]+ 188.02395 150.8
[M+K]+ 208.95329 134.9
[M+H-H2O]+ 152.98739 126.7
[M+HCOO]- 214.98833 143.4
[M+CH3COO]- 229.00398 176.9
[M+Na-2H]- 190.96480 134.5
[M]+ 169.98958 134.2
[M]- 169.99068 134.2
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