CID 6853

Fluorene

Structural Information

Molecular Formula
C13H10
SMILES
C1C2=CC=CC=C2C3=CC=CC=C31
InChI
InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2
InChIKey
NIHNNTQXNPWCJQ-UHFFFAOYSA-N
Compound name
9H-fluorene
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

1430
References

127854
Patents

166.07825 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08553 132.5
[M+Na]+ 189.06747 142.2
[M-H]- 165.07097 138.4
[M+NH4]+ 184.11207 157.2
[M+K]+ 205.04141 137.7
[M+H-H2O]+ 149.07551 127.0
[M+HCOO]- 211.07645 156.4
[M+CH3COO]- 225.09210 147.3
[M+Na-2H]- 187.05292 141.5
[M]+ 166.07770 132.5
[M]- 166.07880 132.5
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

patents stripe