CID 3078464

Brn 3447300

Structural Information

Molecular Formula
C20H12O5S
SMILES
C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)C4=C(C3=O)C=C(C=C4)S(=O)(=O)O
InChI
InChI=1S/C20H12O5S/c21-19(12-4-2-1-3-5-12)13-6-8-15-16-9-7-14(26(23,24)25)11-18(16)20(22)17(15)10-13/h1-11H,(H,23,24,25)
InChIKey
KCWOQJUPFQAXCO-UHFFFAOYSA-N
Compound name
7-benzoyl-9-oxofluorene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.04056 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.04784 182.6
[M+Na]+ 387.02978 192.7
[M-H]- 363.03328 190.8
[M+NH4]+ 382.07438 198.5
[M+K]+ 403.00372 187.3
[M+H-H2O]+ 347.03782 176.6
[M+HCOO]- 409.03876 197.7
[M+CH3COO]- 423.05441 210.2
[M+Na-2H]- 385.01523 186.0
[M]+ 364.04001 187.7
[M]- 364.04111 187.7
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.