CID 5005178

477334-39-7

Structural Information

Molecular Formula
C19H15FOS
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)CCSC3=CC=C(C=C3)F
InChI
InChI=1S/C19H15FOS/c20-17-7-9-18(10-8-17)22-12-11-19(21)16-6-5-14-3-1-2-4-15(14)13-16/h1-10,13H,11-12H2
InChIKey
ICOQFWCWVBDSBW-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)sulfanyl-1-naphthalen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.08276 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09004 169.1
[M+Na]+ 333.07198 177.1
[M-H]- 309.07548 175.1
[M+NH4]+ 328.11658 185.2
[M+K]+ 349.04592 170.6
[M+H-H2O]+ 293.08002 160.4
[M+HCOO]- 355.08096 184.9
[M+CH3COO]- 369.09661 180.1
[M+Na-2H]- 331.05743 171.8
[M]+ 310.08221 170.8
[M]- 310.08331 170.8
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.