CID 224100

Fluorene-9-thiol

Structural Information

Molecular Formula
C13H10S
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)S
InChI
InChI=1S/C13H10S/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H
InChIKey
GNURAXCIBMZJOG-UHFFFAOYSA-N
Compound name
9H-fluorene-9-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

198.05032 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.057596 139.2
[M+Na]+ 221.039538 150.4
[M-H]- 197.043044 145.7
[M+NH4]+ 216.084143 163.8
[M+K]+ 237.013478 145.7
[M+H-H2O]+ 181.047580 134.5
[M+HCOO]- 243.048521 158.2
[M+CH3COO]- 257.064171 154.0
[M+Na-2H]- 219.024986 144.7
[M]+ 198.04977142 142.4
[M]- 198.05086858 142.4
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