CID 21972

Perhydrofluorene

Structural Information

Molecular Formula
C13H22
SMILES
C1CCC2C(C1)CC3C2CCCC3
InChI
InChI=1S/C13H22/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h10-13H,1-9H2
InChIKey
OLWAZOBRCQWWDB-UHFFFAOYSA-N
Compound name
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3923
Patents

178.17215 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.17943 142.9
[M+Na]+ 201.16137 146.0
[M-H]- 177.16487 146.2
[M+NH4]+ 196.20597 166.3
[M+K]+ 217.13531 142.6
[M+H-H2O]+ 161.16941 137.0
[M+HCOO]- 223.17035 157.7
[M+CH3COO]- 237.18600 153.9
[M+Na-2H]- 199.14682 145.4
[M]+ 178.17160 133.9
[M]- 178.17270 133.9
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