CID 30578

Brn 2386649

Structural Information

Molecular Formula
C22H35BrO
SMILES
CCCCC(CC)COC(CBr)C1=CC=C(C=C1)C2CCCCC2
InChI
InChI=1S/C22H35BrO/c1-3-5-9-18(4-2)17-24-22(16-23)21-14-12-20(13-15-21)19-10-7-6-8-11-19/h12-15,18-19,22H,3-11,16-17H2,1-2H3
InChIKey
CMWAPSONCIOZMU-UHFFFAOYSA-N
Compound name
1-[2-bromo-1-(2-ethylhexoxy)ethyl]-4-cyclohexylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.18713 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19441 197.9
[M+Na]+ 417.17635 201.3
[M-H]- 393.17985 204.1
[M+NH4]+ 412.22095 212.4
[M+K]+ 433.15029 189.2
[M+H-H2O]+ 377.18439 195.5
[M+HCOO]- 439.18533 211.0
[M+CH3COO]- 453.20098 219.5
[M+Na-2H]- 415.16180 196.0
[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.