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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	315.104936	173.4
[M+Na]+	337.086878	180.9
[M-H]-	313.090384	178.8
[M+NH4]+	332.131483	192.4
[M+K]+	353.060818	177.2
[M+H-H2O]+	297.094920	167.7
[M+HCOO]-	359.095861	188.1
[M+CH3COO]-	373.111511	205.7
[M+Na-2H]-	335.072326	173.4
[M]+	314.09711142	179.1
[M]-	314.09820858	179.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe