CID 12160885

(r,r)-o-tolyl-dipamp

Structural Information

Molecular Formula
C28H28P2
SMILES
CC1=CC=CC=C1P(CCP(C2=CC=CC=C2)C3=CC=CC=C3C)C4=CC=CC=C4
InChI
InChI=1S/C28H28P2/c1-23-13-9-11-19-27(23)29(25-15-5-3-6-16-25)21-22-30(26-17-7-4-8-18-26)28-20-12-10-14-24(28)2/h3-20H,21-22H2,1-2H3
InChIKey
RCMMGTSPHFJVET-UHFFFAOYSA-N
Compound name
(2-methylphenyl)-[2-[(2-methylphenyl)-phenylphosphanyl]ethyl]-phenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

426.16663 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.17391 212.8
[M+Na]+ 449.15585 214.9
[M-H]- 425.15935 221.0
[M+NH4]+ 444.20045 221.7
[M+K]+ 465.12979 207.9
[M+H-H2O]+ 409.16389 196.2
[M+HCOO]- 471.16483 241.4
[M+CH3COO]- 485.18048 233.2
[M+Na-2H]- 447.14130 204.6
[M]+ 426.16608 211.2
[M]- 426.16718 211.2
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