CID 16975

Benzene, eicosyl-

Structural Information

Molecular Formula
C26H46
SMILES
CCCCCCCCCCCCCCCCCCCCC1=CC=CC=C1
InChI
InChI=1S/C26H46/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-24-21-19-22-25-26/h19,21-22,24-25H,2-18,20,23H2,1H3
InChIKey
HPPLZROUJULWGU-UHFFFAOYSA-N
Compound name
icosylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

745
Patents

358.35995 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.36723 201.2
[M+Na]+ 381.34917 201.3
[M-H]- 357.35267 201.3
[M+NH4]+ 376.39377 214.0
[M+K]+ 397.32311 195.1
[M+H-H2O]+ 341.35721 192.2
[M+HCOO]- 403.35815 220.0
[M+CH3COO]- 417.37380 222.6
[M+Na-2H]- 379.33462 200.1
[M]+ 358.35940 207.3
[M]- 358.36050 207.3
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