CID 1943367

303059-37-2

Structural Information

Molecular Formula
C17H16N2O8S2
SMILES
C1C2=C(C=CC(=C2)S(=O)(=O)NCC(=O)O)C3=C1C=C(C=C3)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C17H16N2O8S2/c20-16(21)8-18-28(24,25)12-1-3-14-10(6-12)5-11-7-13(2-4-15(11)14)29(26,27)19-9-17(22)23/h1-4,6-7,18-19H,5,8-9H2,(H,20,21)(H,22,23)
InChIKey
XGGHNRIPJQDQFT-UHFFFAOYSA-N
Compound name
2-[[7-(carboxymethylsulfamoyl)-9H-fluoren-2-yl]sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

440.03482 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.04210 192.7
[M+Na]+ 463.02404 197.2
[M+NH4]+ 458.06864 195.3
[M+K]+ 478.99798 194.8
[M-H]- 439.02754 189.7
[M+Na-2H]- 461.00949 193.2
[M]+ 440.03427 192.7
[M]- 440.03537 192.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.