CID 15390

Triallyl phosphate

Structural Information

Molecular Formula
C9H15O4P
SMILES
C=CCOP(=O)(OCC=C)OCC=C
InChI
InChI=1S/C9H15O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-6H,1-3,7-9H2
InChIKey
XHGIFBQQEGRTPB-UHFFFAOYSA-N
Compound name
tris(prop-2-enyl) phosphate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

47810
Patents

218.0708 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07808 149.3
[M+Na]+ 241.06002 156.4
[M-H]- 217.06352 148.1
[M+NH4]+ 236.10462 168.4
[M+K]+ 257.03396 155.0
[M+H-H2O]+ 201.06806 142.3
[M+HCOO]- 263.06900 177.5
[M+CH3COO]- 277.08465 187.8
[M+Na-2H]- 239.04547 152.4
[M]+ 218.07025 156.1
[M]- 218.07135 156.1
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

patents stripe