CID 15604

1-methylfluorene

Structural Information

Molecular Formula
C14H12
SMILES
CC1=C2CC3=CC=CC=C3C2=CC=C1
InChI
InChI=1S/C14H12/c1-10-5-4-8-13-12-7-3-2-6-11(12)9-14(10)13/h2-8H,9H2,1H3
InChIKey
GKEUODMJRFDLJY-UHFFFAOYSA-N
Compound name
1-methyl-9H-fluorene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

4910
Patents

180.0939 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.101176 137.2
[M+Na]+ 203.083118 147.3
[M-H]- 179.086624 143.3
[M+NH4]+ 198.127723 161.6
[M+K]+ 219.057058 142.6
[M+H-H2O]+ 163.091160 131.7
[M+HCOO]- 225.092101 160.7
[M+CH3COO]- 239.107751 151.9
[M+Na-2H]- 201.068566 144.9
[M]+ 180.09335142 137.9
[M]- 180.09444858 137.9
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