CID 3015220

Dinonylnaphthalene

Structural Information

Molecular Formula
C28H44
SMILES
CCCCCCCCCC1=C(C2=CC=CC=C2C=C1)CCCCCCCCC
InChI
InChI=1S/C28H44/c1-3-5-7-9-11-13-15-19-25-23-24-26-20-17-18-22-28(26)27(25)21-16-14-12-10-8-6-4-2/h17-18,20,22-24H,3-16,19,21H2,1-2H3
InChIKey
RAADJDWNEAXLBL-UHFFFAOYSA-N
Compound name
1,2-di(nonyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4233
Patents

380.3443 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.351576 205.2
[M+Na]+ 403.333518 207.5
[M-H]- 379.337024 206.8
[M+NH4]+ 398.378123 218.4
[M+K]+ 419.307458 200.1
[M+H-H2O]+ 363.341560 196.0
[M+HCOO]- 425.342501 223.0
[M+CH3COO]- 439.358151 227.9
[M+Na-2H]- 401.318966 204.5
[M]+ 380.34375142 211.1
[M]- 380.34484858 211.1
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