CID 2734551

147253-67-6

Structural Information

Molecular Formula
C18H28P2
SMILES
C[C@@H]1CC[C@H](P1C2=CC=CC=C2P3[C@@H](CC[C@H]3C)C)C
InChI
InChI=1S/C18H28P2/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4/h5-8,13-16H,9-12H2,1-4H3/t13-,14-,15-,16-/m1/s1
InChIKey
AJNZWRKTWQLAJK-KLHDSHLOSA-N
Compound name
(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

771
Patents

306.16663 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.17391 176.8
[M+Na]+ 329.15585 181.6
[M-H]- 305.15935 183.7
[M+NH4]+ 324.20045 196.5
[M+K]+ 345.12979 177.5
[M+H-H2O]+ 289.16389 165.7
[M+HCOO]- 351.16483 206.6
[M+CH3COO]- 365.18048 211.2
[M+Na-2H]- 327.14130 165.1
[M]+ 306.16608 174.4
[M]- 306.16718 174.4
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