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]+ 170.997406 129.1
[M+Na]+ 192.979348 138.0
[M-H]- 168.982854 129.0
[M+NH4]+ 188.023953 150.8
[M+K]+ 208.953288 134.9
[M+H-H2O]+ 152.987390 126.7
[M+HCOO]- 214.988331 143.4
[M+CH3COO]- 229.003981 176.9
[M+Na-2H]- 190.964796 134.5
[M]+ 169.98958142 134.2
[M]- 169.99067858 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