CID 76452

3050-88-2

Structural Information

Molecular Formula
C45H69O3P
SMILES
CCCCCCCCCC1=CC=C(C=C1)OP(OC2=CC=C(C=C2)CCCCCCCCC)OC3=CC=C(C=C3)CCCCCCCCC
InChI
InChI=1S/C45H69O3P/c1-4-7-10-13-16-19-22-25-40-28-34-43(35-29-40)46-49(47-44-36-30-41(31-37-44)26-23-20-17-14-11-8-5-2)48-45-38-32-42(33-39-45)27-24-21-18-15-12-9-6-3/h28-39H,4-27H2,1-3H3
InChIKey
MGMXGCZJYUCMGY-UHFFFAOYSA-N
Compound name
tris(4-nonylphenyl) phosphite
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

4
References

17887
Patents

688.4984 Da
Monoisotopic Mass

19.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.50568 293.9
[M+Na]+ 711.48762 288.7
[M-H]- 687.49112 296.6
[M+NH4]+ 706.53222 292.1
[M+K]+ 727.46156 280.0
[M+H-H2O]+ 671.49566 276.1
[M+HCOO]- 733.49660 312.3
[M+CH3COO]- 747.51225 283.9
[M+Na-2H]- 709.47307 279.5
[M]+ 688.49785 305.2
[M]- 688.49895 305.2
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