CID 78004

2,6-di-tert-butyl-4-nonylphenol

Structural Information

Molecular Formula
C23H40O
SMILES
CCCCCCCCCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C23H40O/c1-8-9-10-11-12-13-14-15-18-16-19(22(2,3)4)21(24)20(17-18)23(5,6)7/h16-17,24H,8-15H2,1-7H3
InChIKey
VQQLTEBUMLSLFJ-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-nonylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1333
Patents

332.30792 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.315196 189.3
[M+Na]+ 355.297138 194.2
[M-H]- 331.300644 190.8
[M+NH4]+ 350.341743 203.9
[M+K]+ 371.271078 189.7
[M+H-H2O]+ 315.305180 183.4
[M+HCOO]- 377.306121 204.8
[M+CH3COO]- 391.321771 216.0
[M+Na-2H]- 353.282586 189.3
[M]+ 332.30737142 194.0
[M]- 332.30846858 194.0
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