CID 96337

Tris(2-propylphenyl) phosphate

Structural Information

Molecular Formula
C27H33O4P
SMILES
CCCC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2CCC)OC3=CC=CC=C3CCC
InChI
InChI=1S/C27H33O4P/c1-4-13-22-16-7-10-19-25(22)29-32(28,30-26-20-11-8-17-23(26)14-5-2)31-27-21-12-9-18-24(27)15-6-3/h7-12,16-21H,4-6,13-15H2,1-3H3
InChIKey
FPIUEVPELBLXGL-UHFFFAOYSA-N
Compound name
tris(2-propylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

264
Patents

452.21164 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.21892 217.0
[M+Na]+ 475.20086 220.9
[M-H]- 451.20436 224.2
[M+NH4]+ 470.24546 225.6
[M+K]+ 491.17480 216.3
[M+H-H2O]+ 435.20890 203.4
[M+HCOO]- 497.20984 242.0
[M+CH3COO]- 511.22549 234.7
[M+Na-2H]- 473.18631 214.8
[M]+ 452.21109 223.7
[M]- 452.21219 223.7
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