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 170.3
[M+Na]+ 321.09197 178.3
[M-H]- 297.09547 175.8
[M+NH4]+ 316.13657 190.2
[M+K]+ 337.06591 174.0
[M+H-H2O]+ 281.10001 164.5
[M+HCOO]- 343.10095 185.9
[M+CH3COO]- 357.11660 203.5
[M+Na-2H]- 319.07742 171.2
[M]+ 298.10220 175.9
[M]- 298.10330 175.9
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.