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

36
Patents

208.06549 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.072766 145.4
[M+Na]+ 231.054708 153.8
[M-H]- 207.058214 151.9
[M+NH4]+ 226.099313 167.0
[M+K]+ 247.028648 148.8
[M+H-H2O]+ 191.062750 140.0
[M+HCOO]- 253.063691 164.1
[M+CH3COO]- 267.079341 183.9
[M+Na-2H]- 229.040156 148.0
[M]+ 208.06494142 145.2
[M]- 208.06603858 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