CID 3055367

72322-15-7

Structural Information

Molecular Formula
C17H16O3S
SMILES
CC(C1=CC2=C(C=C1)C3=CC=CC=C3C2)S(=O)CC(=O)O
InChI
InChI=1S/C17H16O3S/c1-11(21(20)10-17(18)19)12-6-7-16-14(8-12)9-13-4-2-3-5-15(13)16/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKey
TVYAXEKVOBWADF-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-2-yl)ethylsulfinyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.082 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.08928 166.1
[M+Na]+ 323.07122 177.5
[M+NH4]+ 318.11582 174.7
[M+K]+ 339.04516 171.3
[M-H]- 299.07472 167.8
[M+Na-2H]- 321.05667 169.8
[M]+ 300.08145 168.6
[M]- 300.08255 168.6
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