CID 70074

Tris(p-tert-amylphenyl) phosphite

Structural Information

Molecular Formula
C33H45O3P
SMILES
CCC(C)(C)C1=CC=C(C=C1)OP(OC2=CC=C(C=C2)C(C)(C)CC)OC3=CC=C(C=C3)C(C)(C)CC
InChI
InChI=1S/C33H45O3P/c1-10-31(4,5)25-13-19-28(20-14-25)34-37(35-29-21-15-26(16-22-29)32(6,7)11-2)36-30-23-17-27(18-24-30)33(8,9)12-3/h13-24H,10-12H2,1-9H3
InChIKey
XGYJGDTVZLADOZ-UHFFFAOYSA-N
Compound name
tris[4-(2-methylbutan-2-yl)phenyl] phosphite
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

306
Patents

520.3106 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.31788 239.3
[M+Na]+ 543.29982 240.9
[M-H]- 519.30332 246.2
[M+NH4]+ 538.34442 245.4
[M+K]+ 559.27376 237.2
[M+H-H2O]+ 503.30786 226.2
[M+HCOO]- 565.30880 257.7
[M+CH3COO]- 579.32445 252.4
[M+Na-2H]- 541.28527 235.9
[M]+ 520.31005 245.9
[M]- 520.31115 245.9
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