CID 3055393

Methyl (+-)-((1-(9h-fluoren-2-yl)ethyl)thio)acetate

Structural Information

Molecular Formula
C18H18O2S
SMILES
CC(C1=CC2=C(C=C1)C3=CC=CC=C3C2)SCC(=O)OC
InChI
InChI=1S/C18H18O2S/c1-12(21-11-18(19)20-2)13-7-8-17-15(9-13)10-14-5-3-4-6-16(14)17/h3-9,12H,10-11H2,1-2H3
InChIKey
SRGMBILMALLPDG-UHFFFAOYSA-N
Compound name
methyl 2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.10275 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11003 167.9
[M+Na]+ 321.09197 180.6
[M+NH4]+ 316.13657 177.7
[M+K]+ 337.06591 172.5
[M-H]- 297.09547 171.1
[M+Na-2H]- 319.07742 172.8
[M]+ 298.10220 171.2
[M]- 298.10330 171.2
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.