CID 10199305

(2r)-1-(2,4-difluorophenyl)-2-((tetrahydro-2h-pyran-2-yl)oxy)propan-1-one

Structural Information

Molecular Formula
C14H16F2O3
SMILES
C[C@H](C(=O)C1=C(C=C(C=C1)F)F)OC2CCCCO2
InChI
InChI=1S/C14H16F2O3/c1-9(19-13-4-2-3-7-18-13)14(17)11-6-5-10(15)8-12(11)16/h5-6,8-9,13H,2-4,7H2,1H3/t9-,13?/m1/s1
InChIKey
PANPCCDZBDSJOU-CGCSKFHYSA-N
Compound name
(2R)-1-(2,4-difluorophenyl)-2-(oxan-2-yloxy)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

270.10675 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11403 159.3
[M+Na]+ 293.09597 164.5
[M-H]- 269.09947 163.3
[M+NH4]+ 288.14057 173.8
[M+K]+ 309.06991 163.4
[M+H-H2O]+ 253.10401 150.2
[M+HCOO]- 315.10495 175.2
[M+CH3COO]- 329.12060 197.8
[M+Na-2H]- 291.08142 160.2
[M]+ 270.10620 155.6
[M]- 270.10730 155.6
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