CID 3708337

9-methyl-9-phenylsulfanyl-9h-fluorene

Structural Information

Molecular Formula
C20H16S
SMILES
CC1(C2=CC=CC=C2C3=CC=CC=C31)SC4=CC=CC=C4
InChI
InChI=1S/C20H16S/c1-20(21-15-9-3-2-4-10-15)18-13-7-5-11-16(18)17-12-6-8-14-19(17)20/h2-14H,1H3
InChIKey
XFDATDITNFQOJR-UHFFFAOYSA-N
Compound name
9-methyl-9-phenylsulfanylfluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

288.09726 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10454 167.0
[M+Na]+ 311.08648 177.6
[M-H]- 287.08998 176.1
[M+NH4]+ 306.13108 189.3
[M+K]+ 327.06042 170.7
[M+H-H2O]+ 271.09452 160.1
[M+HCOO]- 333.09546 185.1
[M+CH3COO]- 347.11111 179.9
[M+Na-2H]- 309.07193 171.9
[M]+ 288.09671 170.2
[M]- 288.09781 170.2
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

patents stripe