CID 13766829

Tetracosylbenzene

Structural Information

Molecular Formula
C30H54
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC1=CC=CC=C1
InChI
InChI=1S/C30H54/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-30-28-25-23-26-29-30/h23,25-26,28-29H,2-22,24,27H2,1H3
InChIKey
ZYLUTTJKFBSYOL-UHFFFAOYSA-N
Compound name
tetracosylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

414.42255 Da
Monoisotopic Mass

15.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.42983 218.7
[M+Na]+ 437.41177 217.0
[M-H]- 413.41527 217.9
[M+NH4]+ 432.45637 229.1
[M+K]+ 453.38571 209.7
[M+H-H2O]+ 397.41981 208.8
[M+HCOO]- 459.42075 236.0
[M+CH3COO]- 473.43640 234.3
[M+Na-2H]- 435.39722 215.4
[M]+ 414.42200 226.2
[M]- 414.42310 226.2
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