CID 117679348

2-(2,4-dichlorophenyl)cyclobutanone

Structural Information

Molecular Formula
C10H8Cl2O
SMILES
C1CC(=O)C1C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H8Cl2O/c11-6-1-2-7(9(12)5-6)8-3-4-10(8)13/h1-2,5,8H,3-4H2
InChIKey
ZKERQVAHTQJYLP-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

213.99522 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00250 131.1
[M+Na]+ 236.98444 141.4
[M-H]- 212.98794 137.4
[M+NH4]+ 232.02904 145.5
[M+K]+ 252.95838 138.6
[M+H-H2O]+ 196.99248 122.6
[M+HCOO]- 258.99342 145.0
[M+CH3COO]- 273.00907 188.8
[M+Na-2H]- 234.96989 136.1
[M]+ 213.99467 142.1
[M]- 213.99577 142.1
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