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

2
Annotation Hits: 0
References: 3241
Patents: 178.17215 Da
Monoisotopic Mass: 5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	179.179426	142.9
[M+Na]+	201.161368	146.0
[M-H]-	177.164874	146.2
[M+NH4]+	196.205973	166.3
[M+K]+	217.135308	142.6
[M+H-H2O]+	161.169410	137.0
[M+HCOO]-	223.170351	157.7
[M+CH3COO]-	237.186001	153.9
[M+Na-2H]-	199.146816	145.4
[M]+	178.17160142	133.9
[M]-	178.17269858	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe