CID 30560

(2-bromo-1-butoxyethyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0463 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.05358 150.6
[M+Na]+ 279.03552 153.7
[M+NH4]+ 274.08012 155.7
[M+K]+ 295.00946 152.3
[M-H]- 255.03902 151.5
[M+Na-2H]- 277.02097 154.3
[M]+ 256.04575 150.1
[M]- 256.04685 150.1
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.