CID 348606

Mls003373792

Structural Information

Molecular Formula
C20H15NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4C3=O
InChI
InChI=1S/C20H15NO3S/c1-13-6-9-15(10-7-13)25(23,24)21-14-8-11-17-16-4-2-3-5-18(16)20(22)19(17)12-14/h2-12,21H,1H3
InChIKey
QDTDLVFOJQOBCW-UHFFFAOYSA-N
Compound name
4-methyl-N-(9-oxofluoren-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

9
Patents

349.07727 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.08455 180.3
[M+Na]+ 372.06649 190.8
[M-H]- 348.06999 189.7
[M+NH4]+ 367.11109 197.7
[M+K]+ 388.04043 184.6
[M+H-H2O]+ 332.07453 173.7
[M+HCOO]- 394.07547 198.5
[M+CH3COO]- 408.09112 192.3
[M+Na-2H]- 370.05194 185.3
[M]+ 349.07672 185.0
[M]- 349.07782 185.0
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

patents stripe