CID 341706

1-cyclohexen-1-yl diphenylphosphinate

Structural Information

Molecular Formula
C18H19O2P
SMILES
C1CCC(=CC1)OP(=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H19O2P/c19-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)20-16-10-4-1-5-11-16/h2-3,6-10,12-15H,1,4-5,11H2
InChIKey
AQELSEMMEPLGQY-UHFFFAOYSA-N
Compound name
[cyclohexen-1-yloxy(phenyl)phosphoryl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

298.11227 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11955 170.9
[M+Na]+ 321.10149 174.8
[M-H]- 297.10499 178.1
[M+NH4]+ 316.14609 185.2
[M+K]+ 337.07543 170.6
[M+H-H2O]+ 281.10953 159.6
[M+HCOO]- 343.11047 196.2
[M+CH3COO]- 357.12612 201.4
[M+Na-2H]- 319.08694 173.4
[M]+ 298.11172 168.1
[M]- 298.11282 168.1
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

No patent data available for this compound.