CID 129318411

1823362-29-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

224.06041 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06769 146.7
[M+Na]+ 247.04963 154.6
[M-H]- 223.05313 151.9
[M+NH4]+ 242.09423 167.0
[M+K]+ 263.02357 149.8
[M+H-H2O]+ 207.05767 141.7
[M+HCOO]- 269.05861 162.1
[M+CH3COO]- 283.07426 183.3
[M+Na-2H]- 245.03508 151.6
[M]+ 224.05986 144.3
[M]- 224.06096 144.3
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