CID 3078460

Bis(2-fluorenoylmethyl)sulfide

Structural Information

Molecular Formula
C30H22O2S
SMILES
C1C2=CC=CC=C2C3=C1C=C(C=C3)C(=O)CSCC(=O)C4=CC5=C(C=C4)C6=CC=CC=C6C5
InChI
InChI=1S/C30H22O2S/c31-29(21-9-11-27-23(15-21)13-19-5-1-3-7-25(19)27)17-33-18-30(32)22-10-12-28-24(16-22)14-20-6-2-4-8-26(20)28/h1-12,15-16H,13-14,17-18H2
InChIKey
XMAAUVGPTCRRQZ-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-2-yl)-2-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.13406 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.14134 211.2
[M+Na]+ 469.12328 219.1
[M-H]- 445.12678 221.3
[M+NH4]+ 464.16788 227.8
[M+K]+ 485.09722 211.3
[M+H-H2O]+ 429.13132 204.2
[M+HCOO]- 491.13226 224.3
[M+CH3COO]- 505.14791 220.2
[M+Na-2H]- 467.10873 209.3
[M]+ 446.13351 216.5
[M]- 446.13461 216.5
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.