CID 113541

Benzene, didodecyl-

Structural Information

Molecular Formula
C30H54
SMILES
CCCCCCCCCCCCC1=CC=CC=C1CCCCCCCCCCCC
InChI
InChI=1S/C30H54/c1-3-5-7-9-11-13-15-17-19-21-25-29-27-23-24-28-30(29)26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-28H,3-22,25-26H2,1-2H3
InChIKey
WJECKFZULSWXPN-UHFFFAOYSA-N
Compound name
1,2-didodecylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2567
Patents

414.42255 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.42983 218.5
[M+Na]+ 437.41177 217.8
[M-H]- 413.41527 218.1
[M+NH4]+ 432.45637 229.2
[M+K]+ 453.38571 210.5
[M+H-H2O]+ 397.41981 208.9
[M+HCOO]- 459.42075 235.8
[M+CH3COO]- 473.43640 235.4
[M+Na-2H]- 435.39722 214.5
[M]+ 414.42200 226.3
[M]- 414.42310 226.3
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