CID 13903736

Dichloro[(s)-n,n-dimethyl-1-[(r)-2-(diphenylphosphino)ferrocenyl]ethylamine]palladium(ii)

Structural Information

Molecular Formula
C21H24NP
SMILES
C[C@@H](C1=C(CC=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)N(C)C
InChI
InChI=1S/C21H24NP/c1-17(22(2)3)20-15-10-16-21(20)23(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-15,17H,16H2,1-3H3/t17-/m0/s1
InChIKey
RQMOULXZNNFFIY-KRWDZBQOSA-N
Compound name
(1S)-1-(2-diphenylphosphanylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

321.16464 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.17192 181.8
[M+Na]+ 344.15386 185.2
[M-H]- 320.15736 190.9
[M+NH4]+ 339.19846 197.7
[M+K]+ 360.12780 181.5
[M+H-H2O]+ 304.16190 170.3
[M+HCOO]- 366.16284 210.2
[M+CH3COO]- 380.17849 216.7
[M+Na-2H]- 342.13931 177.7
[M]+ 321.16409 181.9
[M]- 321.16519 181.9
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

patents stripe