CID 3055369

72322-80-6

Structural Information

Molecular Formula
C18H18O3S
SMILES
CC(C1=CC2=C(C=C1)C3=CC=CC=C3C2)S(=O)CC(=O)OC
InChI
InChI=1S/C18H18O3S/c1-12(22(20)11-18(19)21-2)13-7-8-17-15(9-13)10-14-5-3-4-6-16(14)17/h3-9,12H,10-11H2,1-2H3
InChIKey
VBYHSEYKPPMKRT-UHFFFAOYSA-N
Compound name
methyl 2-[1-(9H-fluoren-2-yl)ethylsulfinyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

314.09766 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10494 173.4
[M+Na]+ 337.08688 180.9
[M-H]- 313.09038 178.8
[M+NH4]+ 332.13148 192.4
[M+K]+ 353.06082 177.2
[M+H-H2O]+ 297.09492 167.7
[M+HCOO]- 359.09586 188.1
[M+CH3COO]- 373.11151 205.7
[M+Na-2H]- 335.07233 173.4
[M]+ 314.09711 179.1
[M]- 314.09821 179.1
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

patents stripe