CID 6435896

164058-20-2

Structural Information

Molecular Formula
C14H15ClO
SMILES
CC1(CC/C(=C\C2=CC=C(C=C2)Cl)/C1=O)C
InChI
InChI=1S/C14H15ClO/c1-14(2)8-7-11(13(14)16)9-10-3-5-12(15)6-4-10/h3-6,9H,7-8H2,1-2H3/b11-9+
InChIKey
DHZKFHRKOKWCKA-PKNBQFBNSA-N
Compound name
(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

234.08115 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08843 151.3
[M+Na]+ 257.07037 161.2
[M-H]- 233.07387 158.4
[M+NH4]+ 252.11497 174.3
[M+K]+ 273.04431 155.3
[M+H-H2O]+ 217.07841 146.7
[M+HCOO]- 279.07935 169.7
[M+CH3COO]- 293.09500 189.0
[M+Na-2H]- 255.05582 153.5
[M]+ 234.08060 151.7
[M]- 234.08170 151.7
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