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]+ 199.05760 139.2
[M+Na]+ 221.03954 150.4
[M-H]- 197.04304 145.7
[M+NH4]+ 216.08414 163.8
[M+K]+ 237.01348 145.7
[M+H-H2O]+ 181.04758 134.5
[M+HCOO]- 243.04852 158.2
[M+CH3COO]- 257.06417 154.0
[M+Na-2H]- 219.02499 144.7
[M]+ 198.04977 142.4
[M]- 198.05087 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.