CID 30561

21269-99-8

Structural Information

Molecular Formula
C12H17BrO
SMILES
CCC(C)OC(CBr)C1=CC=CC=C1
InChI
InChI=1S/C12H17BrO/c1-3-10(2)14-12(9-13)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
InChIKey
GSTYZNBELHTTJX-UHFFFAOYSA-N
Compound name
(2-bromo-1-butan-2-yloxyethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0463 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.05358 149.2
[M+Na]+ 279.03552 152.0
[M+NH4]+ 274.08012 154.3
[M+K]+ 295.00946 151.5
[M-H]- 255.03902 150.0
[M+Na-2H]- 277.02097 152.7
[M]+ 256.04575 148.6
[M]- 256.04685 148.6
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.