CID 58227858

3-(3-chlorophenyl)cyclobutanone

Structural Information

Molecular Formula
C10H9ClO
SMILES
C1C(CC1=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H9ClO/c11-9-3-1-2-7(4-9)8-5-10(12)6-8/h1-4,8H,5-6H2
InChIKey
MPIYPDUURJOKRP-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

180.0342 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04148 127.1
[M+Na]+ 203.02342 136.0
[M-H]- 179.02692 134.0
[M+NH4]+ 198.06802 142.1
[M+K]+ 218.99736 134.8
[M+H-H2O]+ 163.03146 117.6
[M+HCOO]- 225.03240 145.9
[M+CH3COO]- 239.04805 183.2
[M+Na-2H]- 201.00887 133.4
[M]+ 180.03365 136.8
[M]- 180.03475 136.8
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

patents stripe