CID 81223

2-chlorophenyl cyclopentyl ketone

Structural Information

Molecular Formula
C12H13ClO
SMILES
C1CCC(C1)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C12H13ClO/c13-11-8-4-3-7-10(11)12(14)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2
InChIKey
QIJMMRNZBJHXRI-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-cyclopentylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

208.06549 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07277 146.1
[M+Na]+ 231.05471 153.2
[M-H]- 207.05821 152.3
[M+NH4]+ 226.09931 167.3
[M+K]+ 247.02865 148.8
[M+H-H2O]+ 191.06275 140.5
[M+HCOO]- 253.06369 163.8
[M+CH3COO]- 267.07934 183.6
[M+Na-2H]- 229.04016 148.2
[M]+ 208.06494 144.9
[M]- 208.06604 144.9
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