CID 11074819

2,2-dichlorobutyrophenone

Structural Information

Molecular Formula
C10H10Cl2O
SMILES
CCC(C(=O)C1=CC=CC=C1)(Cl)Cl
InChI
InChI=1S/C10H10Cl2O/c1-2-10(11,12)9(13)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey
VGWVNIXLMXHWCR-UHFFFAOYSA-N
Compound name
2,2-dichloro-1-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

216.01086 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.01814 142.4
[M+Na]+ 239.00008 151.1
[M-H]- 215.00358 145.4
[M+NH4]+ 234.04468 162.2
[M+K]+ 254.97402 146.1
[M+H-H2O]+ 199.00812 138.7
[M+HCOO]- 261.00906 154.9
[M+CH3COO]- 275.02471 185.3
[M+Na-2H]- 236.98553 148.3
[M]+ 216.01031 145.4
[M]- 216.01141 145.4
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.