CID 3015421

Trinonylphenol

Structural Information

Molecular Formula
C33H60O
SMILES
CCCCCCCCCC1=C(C(=C(C=C1)O)CCCCCCCCC)CCCCCCCCC
InChI
InChI=1S/C33H60O/c1-4-7-10-13-16-19-22-25-30-28-29-33(34)32(27-24-21-18-15-12-9-6-3)31(30)26-23-20-17-14-11-8-5-2/h28-29,34H,4-27H2,1-3H3
InChIKey
RBPAPQWTNWGCGO-UHFFFAOYSA-N
Compound name
2,3,4-tri(nonyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

306
Patents

472.46442 Da
Monoisotopic Mass

15.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.47170 234.0
[M+Na]+ 495.45364 233.4
[M-H]- 471.45714 232.4
[M+NH4]+ 490.49824 242.2
[M+K]+ 511.42758 225.2
[M+H-H2O]+ 455.46168 224.5
[M+HCOO]- 517.46262 249.0
[M+CH3COO]- 531.47827 245.5
[M+Na-2H]- 493.43909 226.7
[M]+ 472.46387 243.3
[M]- 472.46497 243.3
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