CID 75369734

1445573-46-5

Structural Information

Molecular Formula
C15H19F2NO3S
SMILES
CS(=O)(=O)CCC(=O)N1CCC(CC1)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C15H19F2NO3S/c1-22(20,21)9-6-15(19)18-7-4-11(5-8-18)12-2-3-13(16)14(17)10-12/h2-3,10-11H,4-9H2,1H3
InChIKey
MZGDNQCGQDZSIN-UHFFFAOYSA-N
Compound name
1-[4-(3,4-difluorophenyl)piperidin-1-yl]-3-methylsulfonylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.10538 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.11266 172.2
[M+Na]+ 354.09460 178.8
[M-H]- 330.09810 174.3
[M+NH4]+ 349.13920 185.1
[M+K]+ 370.06854 174.2
[M+H-H2O]+ 314.10264 162.9
[M+HCOO]- 376.10358 182.0
[M+CH3COO]- 390.11923 205.6
[M+Na-2H]- 352.08005 170.7
[M]+ 331.10483 170.1
[M]- 331.10593 170.1
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

No patent data available for this compound.