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]+ 301.089276 168.3
[M+Na]+ 323.071218 175.8
[M-H]- 299.074724 172.4
[M+NH4]+ 318.115823 187.0
[M+K]+ 339.045158 171.4
[M+H-H2O]+ 283.079260 163.1
[M+HCOO]- 345.080201 181.9
[M+CH3COO]- 359.095851 201.0
[M+Na-2H]- 321.056666 168.5
[M]+ 300.08145142 172.0
[M]- 300.08254858 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