CID 3023194

Bis(nonylphenyl) succinate

Structural Information

Molecular Formula
C34H50O4
SMILES
CCCCCCCCCC1=CC=CC=C1OC(=O)CCC(=O)OC2=CC=CC=C2CCCCCCCCC
InChI
InChI=1S/C34H50O4/c1-3-5-7-9-11-13-15-21-29-23-17-19-25-31(29)37-33(35)27-28-34(36)38-32-26-20-18-24-30(32)22-16-14-12-10-8-6-4-2/h17-20,23-26H,3-16,21-22,27-28H2,1-2H3
InChIKey
YXNPFNPHSYKAFN-UHFFFAOYSA-N
Compound name
bis(2-nonylphenyl) butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.3709 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.37818 241.6
[M+Na]+ 545.36012 240.8
[M-H]- 521.36362 244.7
[M+NH4]+ 540.40472 246.9
[M+K]+ 561.33406 234.7
[M+H-H2O]+ 505.36816 230.0
[M+HCOO]- 567.36910 258.0
[M+CH3COO]- 581.38475 249.7
[M+Na-2H]- 543.34557 235.0
[M]+ 522.37035 251.0
[M]- 522.37145 251.0
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

No patent data available for this compound.