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
(Z)-butoxy-oxo-(3-phenylpropylidene)-lambda5-phosphane
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 161.6
[M+Na]+ 261.10149 166.4
[M-H]- 237.10499 162.0
[M+NH4]+ 256.14609 178.8
[M+K]+ 277.07543 158.9
[M+H-H2O]+ 221.10953 157.9
[M+HCOO]- 283.11047 188.7
[M+CH3COO]- 297.12612 184.0
[M+Na-2H]- 259.08694 163.9
[M]+ 238.11172 162.3
[M]- 238.11282 162.3
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.