CID 11138325

2-[(4-chlorophenyl)methyl]cyclopentan-1-one

Structural Information

Molecular Formula
C12H13ClO
SMILES
C1CC(C(=O)C1)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H13ClO/c13-11-6-4-9(5-7-11)8-10-2-1-3-12(10)14/h4-7,10H,1-3,8H2
InChIKey
OPLDIHWEFBYKBR-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl]cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

208.06549 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07277 145.4
[M+Na]+ 231.05471 153.8
[M-H]- 207.05821 151.9
[M+NH4]+ 226.09931 167.0
[M+K]+ 247.02865 148.8
[M+H-H2O]+ 191.06275 140.0
[M+HCOO]- 253.06369 164.1
[M+CH3COO]- 267.07934 183.9
[M+Na-2H]- 229.04016 148.0
[M]+ 208.06494 145.2
[M]- 208.06604 145.2
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