CID 30575

Brn 2381664

Structural Information

Molecular Formula
C19H29BrO
SMILES
CCCCCOC(CBr)C1=CC=C(C=C1)C2CCCCC2
InChI
InChI=1S/C19H29BrO/c1-2-3-7-14-21-19(15-20)18-12-10-17(11-13-18)16-8-5-4-6-9-16/h10-13,16,19H,2-9,14-15H2,1H3
InChIKey
SSJKEEXKEAHLTD-UHFFFAOYSA-N
Compound name
1-(2-bromo-1-pentoxyethyl)-4-cyclohexylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.14017 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14745 183.8
[M+Na]+ 375.12939 188.8
[M-H]- 351.13289 190.7
[M+NH4]+ 370.17399 200.1
[M+K]+ 391.10333 177.0
[M+H-H2O]+ 335.13743 182.0
[M+HCOO]- 397.13837 199.0
[M+CH3COO]- 411.15402 210.5
[M+Na-2H]- 373.11484 184.8
[M]+ 352.13962 200.1
[M]- 352.14072 200.1
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.