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
2
Annotation Hits

1
References

181
Patents

180.0342 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.041476 131.7
[M+Na]+ 203.023418 142.0
[M-H]- 179.026924 139.3
[M+NH4]+ 198.068023 147.7
[M+K]+ 218.997358 137.8
[M+H-H2O]+ 163.031460 126.1
[M+HCOO]- 225.032401 151.5
[M+CH3COO]- 239.048051 183.2
[M+Na-2H]- 201.008866 137.7
[M]+ 180.03365142 135.4
[M]- 180.03474858 135.4
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

patents stripe