CID 289333

1-(2-bromoethoxy)-4-butylbenzene

Structural Information

Molecular Formula
C12H17BrO
SMILES
CCCCC1=CC=C(C=C1)OCCBr
InChI
InChI=1S/C12H17BrO/c1-2-3-4-11-5-7-12(8-6-11)14-10-9-13/h5-8H,2-4,9-10H2,1H3
InChIKey
KTTXTHGVBRJKBU-UHFFFAOYSA-N
Compound name
1-(2-bromoethoxy)-4-butylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

256.0463 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.053576 151.7
[M+Na]+ 279.035518 161.9
[M-H]- 255.039024 157.5
[M+NH4]+ 274.080123 172.6
[M+K]+ 295.009458 150.8
[M+H-H2O]+ 239.043560 151.4
[M+HCOO]- 301.044501 172.9
[M+CH3COO]- 315.060151 193.4
[M+Na-2H]- 277.020966 158.4
[M]+ 256.04575142 172.8
[M]- 256.04684858 172.8
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

patents stripe