CID 2749748

Ethanone, 1,1'-(1,3-phenylene)bis[2-chloro-

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]+ 230.99741 142.7
[M+Na]+ 252.97935 151.9
[M-H]- 228.98285 145.9
[M+NH4]+ 248.02395 162.0
[M+K]+ 268.95329 147.0
[M+H-H2O]+ 212.98739 138.9
[M+HCOO]- 274.98833 156.3
[M+CH3COO]- 289.00398 187.9
[M+Na-2H]- 250.96480 146.3
[M]+ 229.98958 146.8
[M]- 229.99068 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.