CID 71310205

Dtxsid20746110

Structural Information

Molecular Formula
C20H21OP
SMILES
C[C@H](C1C=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3)OC
InChI
InChI=1S/C20H21OP/c1-16(21-2)19-14-9-15-20(19)22(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-16,19H,1-2H3/t16-,19?/m1/s1
InChIKey
XRIQQNVWICGJAQ-VTBWFHPJSA-N
Compound name
[5-[(1R)-1-methoxyethyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.133 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14028 177.1
[M+Na]+ 331.12222 181.7
[M-H]- 307.12572 185.1
[M+NH4]+ 326.16682 193.2
[M+K]+ 347.09616 177.5
[M+H-H2O]+ 291.13026 166.2
[M+HCOO]- 353.13120 204.5
[M+CH3COO]- 367.14685 207.5
[M+Na-2H]- 329.10767 173.8
[M]+ 308.13245 177.7
[M]- 308.13355 177.7
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.