CID 45588526

5-(2-chloro-6-fluoro-phenyl)-3-hydroxy-cyclohex-2-enone

Structural Information

Molecular Formula
C12H10ClFO2
SMILES
C1C(CC(=O)C=C1O)C2=C(C=CC=C2Cl)F
InChI
InChI=1S/C12H10ClFO2/c13-10-2-1-3-11(14)12(10)7-4-8(15)6-9(16)5-7/h1-3,6-7,15H,4-5H2
InChIKey
KMNJRLQVFJOHBK-UHFFFAOYSA-N
Compound name
5-(2-chloro-6-fluorophenyl)-3-hydroxycyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.03534 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04262 147.0
[M+Na]+ 263.02456 156.9
[M-H]- 239.02806 151.6
[M+NH4]+ 258.06916 165.3
[M+K]+ 278.99850 151.3
[M+H-H2O]+ 223.03260 140.9
[M+HCOO]- 285.03354 162.8
[M+CH3COO]- 299.04919 188.4
[M+Na-2H]- 261.01001 149.9
[M]+ 240.03479 145.6
[M]- 240.03589 145.6
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

No patent data available for this compound.