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 193.3
[M+Na]+ 463.02404 198.0
[M-H]- 439.02754 194.5
[M+NH4]+ 458.06864 203.9
[M+K]+ 478.99798 194.1
[M+H-H2O]+ 423.03208 188.6
[M+HCOO]- 485.03302 200.9
[M+CH3COO]- 499.04867 223.3
[M+Na-2H]- 461.00949 200.4
[M]+ 440.03427 198.9
[M]- 440.03537 198.9
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.