CID 3078462

7-benzoyl-9h-fluorene-2-sulfonic acid

Structural Information

Molecular Formula
C20H14O4S
SMILES
C1C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3)C4=C1C=C(C=C4)S(=O)(=O)O
InChI
InChI=1S/C20H14O4S/c21-20(13-4-2-1-3-5-13)14-6-8-18-15(10-14)11-16-12-17(25(22,23)24)7-9-19(16)18/h1-10,12H,11H2,(H,22,23,24)
InChIKey
SWFVXNCQCNGGFS-UHFFFAOYSA-N
Compound name
7-benzoyl-9H-fluorene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.06128 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.06856 180.2
[M+Na]+ 373.05050 189.7
[M-H]- 349.05400 188.2
[M+NH4]+ 368.09510 196.8
[M+K]+ 389.02444 184.1
[M+H-H2O]+ 333.05854 174.3
[M+HCOO]- 395.05948 195.2
[M+CH3COO]- 409.07513 191.5
[M+Na-2H]- 371.03595 184.0
[M]+ 350.06073 184.3
[M]- 350.06183 184.3
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.