CID 53403943

3-(2-chlorophenyl)cyclobutanone

Structural Information

Molecular Formula
C10H9ClO
SMILES
C1C(CC1=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C10H9ClO/c11-10-4-2-1-3-9(10)7-5-8(12)6-7/h1-4,7H,5-6H2
InChIKey
PZRHYHKZMBRCKP-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 128.7
[M+Na]+ 203.02342 139.3
[M+NH4]+ 198.06802 134.9
[M+K]+ 218.99736 133.7
[M-H]- 179.02692 130.3
[M+Na-2H]- 201.00887 135.4
[M]+ 180.03365 129.9
[M]- 180.03475 129.9
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