CID 3048264

63886-52-2

Structural Information

Molecular Formula
C13H19O2P
SMILES
CCCCP(=O)(C1=CC=CC=C1)OCC=C
InChI
InChI=1S/C13H19O2P/c1-3-5-12-16(14,15-11-4-2)13-9-7-6-8-10-13/h4,6-10H,2-3,5,11-12H2,1H3
InChIKey
ULBHOITUKBGYDK-UHFFFAOYSA-N
Compound name
[butyl(prop-2-enoxy)phosphoryl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

238.11227 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11955 158.7
[M+Na]+ 261.10149 164.9
[M-H]- 237.10499 160.5
[M+NH4]+ 256.14609 176.9
[M+K]+ 277.07543 162.0
[M+H-H2O]+ 221.10953 150.2
[M+HCOO]- 283.11047 186.3
[M+CH3COO]- 297.12612 193.1
[M+Na-2H]- 259.08694 161.4
[M]+ 238.11172 162.6
[M]- 238.11282 162.6
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

patents stripe