CID 30577

Brn 2386650

Structural Information

Molecular Formula
C22H35BrO
SMILES
CCCCCCCCOC(CBr)C1=CC=C(C=C1)C2CCCCC2
InChI
InChI=1S/C22H35BrO/c1-2-3-4-5-6-10-17-24-22(18-23)21-15-13-20(14-16-21)19-11-8-7-9-12-19/h13-16,19,22H,2-12,17-18H2,1H3
InChIKey
AGOPOGYONHCVPM-UHFFFAOYSA-N
Compound name
1-(2-bromo-1-octoxyethyl)-4-cyclohexylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.18713 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19441 197.3
[M+Na]+ 417.17635 201.1
[M-H]- 393.17985 203.5
[M+NH4]+ 412.22095 211.9
[M+K]+ 433.15029 188.5
[M+H-H2O]+ 377.18439 194.8
[M+HCOO]- 439.18533 211.4
[M+CH3COO]- 453.20098 218.8
[M+Na-2H]- 415.16180 196.6
[M]+ 394.18658 214.5
[M]- 394.18768 214.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.