CID 2723781

40877-09-6

Structural Information

Molecular Formula
C10H10Cl2O
SMILES
C1=CC(=CC=C1C(=O)CCCCl)Cl
InChI
InChI=1S/C10H10Cl2O/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2
InChIKey
UKCHLVFIVJBCKE-UHFFFAOYSA-N
Compound name
4-chloro-1-(4-chlorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

216.01086 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.01814 141.7
[M+Na]+ 239.00008 150.9
[M-H]- 215.00358 144.6
[M+NH4]+ 234.04468 161.7
[M+K]+ 254.97402 145.5
[M+H-H2O]+ 199.00812 137.8
[M+HCOO]- 261.00906 155.7
[M+CH3COO]- 275.02471 186.1
[M+Na-2H]- 236.98553 146.3
[M]+ 216.01031 145.5
[M]- 216.01141 145.5
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.