CID 363689

Nsc628805

Structural Information

Molecular Formula
C22H13ClO5S
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)(C3(C4=CC=CC=C4C5=CC=CC=C53)S(=O)(=O)O)Cl
InChI
InChI=1S/C22H13ClO5S/c23-21(19(24)15-9-1-2-10-16(15)20(21)25)22(29(26,27)28)17-11-5-3-7-13(17)14-8-4-6-12-18(14)22/h1-12H,(H,26,27,28)
InChIKey
MINRSXMHBQLQJQ-UHFFFAOYSA-N
Compound name
9-(2-chloro-1,3-dioxoinden-2-yl)fluorene-9-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.0172 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.02448 199.7
[M+Na]+ 447.00642 213.3
[M-H]- 423.00992 209.5
[M+NH4]+ 442.05102 221.2
[M+K]+ 462.98036 206.2
[M+H-H2O]+ 407.01446 196.0
[M+HCOO]- 469.01540 210.0
[M+CH3COO]- 483.03105 211.3
[M+Na-2H]- 444.99187 204.4
[M]+ 424.01665 208.4
[M]- 424.01775 208.4
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

No patent data available for this compound.