CID 18699250

1-(3,4-dichlorophenyl)-2-methylpropan-1-one

Structural Information

Molecular Formula
C10H10Cl2O
SMILES
CC(C)C(=O)C1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H10Cl2O/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6H,1-2H3
InChIKey
UGECHQYGTSAESA-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

216.01086 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.01814 140.0
[M+Na]+ 239.00008 149.9
[M-H]- 215.00358 143.5
[M+NH4]+ 234.04468 160.3
[M+K]+ 254.97402 145.0
[M+H-H2O]+ 199.00812 136.6
[M+HCOO]- 261.00906 153.2
[M+CH3COO]- 275.02471 188.0
[M+Na-2H]- 236.98553 142.9
[M]+ 216.01031 143.7
[M]- 216.01141 143.7
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