CID 16132045

O-butyl allylphenylphosphinate

Structural Information

Molecular Formula
C13H19O2P
SMILES
CCCCO/P(=C\CCC1=CC=CC=C1)=O
InChI
InChI=1S/C13H19O2P/c1-2-3-11-15-16(14)12-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,2-3,7,10-11H2,1H3
InChIKey
YQQRVLAWRYHTLE-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11227 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11955 155.6
[M+Na]+ 261.10149 168.4
[M+NH4]+ 256.14609 163.6
[M+K]+ 277.07543 162.7
[M-H]- 237.10499 158.2
[M+Na-2H]- 259.08694 160.9
[M]+ 238.11172 158.0
[M]- 238.11282 158.0
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.