CID 827018

(2-chlorophenyl) (1-hydroxycyclopentyl) ketone

Structural Information

Molecular Formula
C12H13ClO2
SMILES
C1CCC(C1)(C(=O)C2=CC=CC=C2Cl)O
InChI
InChI=1S/C12H13ClO2/c13-10-6-2-1-5-9(10)11(14)12(15)7-3-4-8-12/h1-2,5-6,15H,3-4,7-8H2
InChIKey
OVTPOHDQDJTAEF-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-(1-hydroxycyclopentyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

224.06041 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06769 148.7
[M+Na]+ 247.04963 156.3
[M-H]- 223.05313 154.0
[M+NH4]+ 242.09423 170.6
[M+K]+ 263.02357 151.6
[M+H-H2O]+ 207.05767 144.1
[M+HCOO]- 269.05861 165.3
[M+CH3COO]- 283.07426 182.5
[M+Na-2H]- 245.03508 151.6
[M]+ 224.05986 147.4
[M]- 224.06096 147.4
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