CID 11520495

147253-69-8

Structural Information

Molecular Formula
C26H44P2
SMILES
CC(C)[C@@H]1CC[C@H](P1C2=CC=CC=C2P3[C@@H](CC[C@H]3C(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/t21-,22-,23-,24-/m0/s1
InChIKey
RBVGOQHQBUPSGX-ZJZGAYNASA-N
Compound name
(2S,5S)-1-[2-[(2S,5S)-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

107
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

literature stripe

Patent stripe

patents stripe