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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.08553 126.0
[M+Na]+ 153.06747 134.3
[M-H]- 129.07097 133.1
[M+NH4]+ 148.11207 151.3
[M+K]+ 169.04141 132.1
[M+H-H2O]+ 113.07551 120.5
[M+HCOO]- 175.07645 153.3
[M+CH3COO]- 189.09210 141.5
[M+Na-2H]- 151.05292 131.3
[M]+ 130.07770 125.3
[M]- 130.07880 125.3
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