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 168.3
[M+Na]+ 323.07122 175.8
[M-H]- 299.07472 172.4
[M+NH4]+ 318.11582 187.0
[M+K]+ 339.04516 171.4
[M+H-H2O]+ 283.07926 163.1
[M+HCOO]- 345.08020 181.9
[M+CH3COO]- 359.09585 201.0
[M+Na-2H]- 321.05667 168.5
[M]+ 300.08145 172.0
[M]- 300.08255 172.0
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