CID 146159867

(r,r)-(+)-2,2'-bis[(s)-(n,n-dimethylamino)(phenyl)methyl]-1,1'-bis(di(2-methylphenyl)phosphino)ferrocene

Structural Information

Molecular Formula
C28H29NP
SMILES
CC1=CC=CC=C1P(C2=CC=CC=C2C)[C]3[CH][CH][CH][C]3C(C4=CC=CC=C4)N(C)C
InChI
InChI=1S/C28H29NP/c1-21-13-8-10-18-25(21)30(26-19-11-9-14-22(26)2)27-20-12-17-24(27)28(29(3)4)23-15-6-5-7-16-23/h5-20,28H,1-4H3
InChIKey
SDOVYMDJGMFXMS-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.20377 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.21105 206.6
[M+Na]+ 433.19299 207.7
[M-H]- 409.19649 217.9
[M+NH4]+ 428.23759 218.3
[M+K]+ 449.16693 202.6
[M+H-H2O]+ 393.20103 193.6
[M+HCOO]- 455.20197 230.8
[M+CH3COO]- 469.21762 235.7
[M+Na-2H]- 431.17844 197.7
[M]+ 410.20322 204.0
[M]- 410.20432 204.0
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.