CID 81148

4-chlorophenyl cyclopropyl ketone

Structural Information

Molecular Formula
C10H9ClO
SMILES
C1CC1C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H9ClO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2
InChIKey
OPSFCTBBDIDFJM-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-cyclopropylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

162
Patents

180.0342 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04148 135.4
[M+Na]+ 203.02342 151.0
[M+NH4]+ 198.06802 145.8
[M+K]+ 218.99736 145.0
[M-H]- 179.02692 146.0
[M+Na-2H]- 201.00887 146.5
[M]+ 180.03365 142.1
[M]- 180.03475 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

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Patent stripe

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