CID 13676034

Bicyclopentadienylbis(tricarbonyliron)

Structural Information

Molecular Formula

C₁₀H₁₀

SMILES

C1C=CC(=C1)C2=CCC=C2

InChI

InChI=1S/C10H10/c1-2-6-9(5-1)10-7-3-4-8-10/h1,3,5-8H,2,4H2

InChIKey

IHDUOEKGRKSLKU-UHFFFAOYSA-N

Compound name

2-cyclopenta-1,4-dien-1-ylcyclopenta-1,3-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 130.07825 Da
Monoisotopic Mass: 2.6
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]+	131.08553	127.2
[M+Na]+	153.06747	139.9
[M+NH4]+	148.11207	137.9
[M+K]+	169.04141	135.7
[M-H]-	129.07097	131.6
[M+Na-2H]-	151.05292	136.2
[M]+	130.07770	130.3
[M]-	130.07880	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe