CID 4589694

3-(4-chlorophenyl)cyclobutanone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
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

literature stripe

Patent stripe

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