CID 5743862

4-nonylphenyl ditridecyl phosphite

Structural Information

Molecular Formula
C41H77O3P
SMILES
CCCCCCCCCCCCCOP(OCCCCCCCCCCCCC)OC1=CC=C(C=C1)CCCCCCCCC
InChI
InChI=1S/C41H77O3P/c1-4-7-10-13-16-18-20-22-25-28-31-38-42-45(43-39-32-29-26-23-21-19-17-14-11-8-5-2)44-41-36-34-40(35-37-41)33-30-27-24-15-12-9-6-3/h34-37H,4-33,38-39H2,1-3H3
InChIKey
CEQWIUHWWZAJEI-UHFFFAOYSA-N
Compound name
(4-nonylphenyl) ditridecyl phosphite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

648.56104 Da
Monoisotopic Mass

18.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.56832 261.7
[M+Na]+ 671.55026 266.5
[M-H]- 647.55376 240.6
[M+NH4]+ 666.59486 261.3
[M+K]+ 687.52420 265.9
[M+H-H2O]+ 631.55830 255.8
[M+HCOO]- 693.55924 272.5
[M+CH3COO]- 707.57489 279.2
[M+Na-2H]- 669.53571 242.2
[M]+ 648.56049 259.7
[M]- 648.56159 259.7
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