CID 2749748

2-chloro-1-[3-(2-chloroacetyl)phenyl]ethan-1-one

Structural Information

Molecular Formula
C10H8Cl2O2
SMILES
C1=CC(=CC(=C1)C(=O)CCl)C(=O)CCl
InChI
InChI=1S/C10H8Cl2O2/c11-5-9(13)7-2-1-3-8(4-7)10(14)6-12/h1-4H,5-6H2
InChIKey
AODZFAGHJHMZSC-UHFFFAOYSA-N
Compound name
2-chloro-1-[3-(2-chloroacetyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.99013 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.997406 142.7
[M+Na]+ 252.979348 151.9
[M-H]- 228.982854 145.9
[M+NH4]+ 248.023953 162.0
[M+K]+ 268.953288 147.0
[M+H-H2O]+ 212.987390 138.9
[M+HCOO]- 274.988331 156.3
[M+CH3COO]- 289.003981 187.9
[M+Na-2H]- 250.964796 146.3
[M]+ 229.98958142 146.8
[M]- 229.99067858 146.8
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.