CID 11285008

Chlorodicarbonyl(1-(isopropylamino)-2,3,4,5-tetraphenylcyclopentadienyl)ruthenium(ii)

Structural Information

Molecular Formula
C32H28N
SMILES
CC(C)NC1=C(C(=C([C]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C32H28N/c1-23(2)33-32-30(26-19-11-5-12-20-26)28(24-15-7-3-8-16-24)29(25-17-9-4-10-18-25)31(32)27-21-13-6-14-22-27/h3-23,33H,1-2H3
InChIKey
LDMSUUUOBZTJGN-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.22217 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.22945 208.8
[M+Na]+ 449.21139 213.5
[M-H]- 425.21489 223.7
[M+NH4]+ 444.25599 218.7
[M+K]+ 465.18533 204.8
[M+H-H2O]+ 409.21943 197.1
[M+HCOO]- 471.22037 231.0
[M+CH3COO]- 485.23602 217.5
[M+Na-2H]- 447.19684 207.5
[M]+ 426.22162 206.7
[M]- 426.22272 206.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.