CID 30568

Brn 2376118

Structural Information

Molecular Formula
C20H33BrO
SMILES
CCCCCCCCOC(CBr)C1=CC=C(C=C1)C(C)(C)C
InChI
InChI=1S/C20H33BrO/c1-5-6-7-8-9-10-15-22-19(16-21)17-11-13-18(14-12-17)20(2,3)4/h11-14,19H,5-10,15-16H2,1-4H3
InChIKey
BRTMPQQLYHLSIL-UHFFFAOYSA-N
Compound name
1-(2-bromo-1-octoxyethyl)-4-tert-butylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.17148 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.17876 190.2
[M+Na]+ 391.16070 197.3
[M-H]- 367.16420 194.9
[M+NH4]+ 386.20530 206.8
[M+K]+ 407.13464 185.0
[M+H-H2O]+ 351.16874 188.9
[M+HCOO]- 413.16968 206.3
[M+CH3COO]- 427.18533 216.2
[M+Na-2H]- 389.14615 191.9
[M]+ 368.17093 212.8
[M]- 368.17203 212.8
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.