CID 10212307

1,2-bis(2,5-diisopropylphospholan-1-yl)benzene

Structural Information

Molecular Formula
C26H44P2
SMILES
CC(C)C1CCC(P1C2=CC=CC=C2P3C(CCC3C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C26H44P2/c1-17(2)21-13-14-22(18(3)4)27(21)25-11-9-10-12-26(25)28-23(19(5)6)15-16-24(28)20(7)8/h9-12,17-24H,13-16H2,1-8H3
InChIKey
RBVGOQHQBUPSGX-UHFFFAOYSA-N
Compound name
1-[2-[2,5-di(propan-2-yl)phospholan-1-yl]phenyl]-2,5-di(propan-2-yl)phospholane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

418.29184 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.29912 213.9
[M+Na]+ 441.28106 214.0
[M-H]- 417.28456 219.7
[M+NH4]+ 436.32566 228.7
[M+K]+ 457.25500 210.2
[M+H-H2O]+ 401.28910 202.4
[M+HCOO]- 463.29004 236.9
[M+CH3COO]- 477.30569 237.8
[M+Na-2H]- 439.26651 193.8
[M]+ 418.29129 211.9
[M]- 418.29239 211.9
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