CID 21458711

4-bromo-1-methoxy-2-(3-methoxypropoxy)benzene

Structural Information

Molecular Formula
C11H15BrO3
SMILES
COCCCOC1=C(C=CC(=C1)Br)OC
InChI
InChI=1S/C11H15BrO3/c1-13-6-3-7-15-11-8-9(12)4-5-10(11)14-2/h4-5,8H,3,6-7H2,1-2H3
InChIKey
JFSCCLJKKCRXSS-UHFFFAOYSA-N
Compound name
4-bromo-1-methoxy-2-(3-methoxypropoxy)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

176
Patents

274.02045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.027726 151.7
[M+Na]+ 297.009668 162.9
[M-H]- 273.013174 158.0
[M+NH4]+ 292.054273 172.1
[M+K]+ 312.983608 153.1
[M+H-H2O]+ 257.017710 151.2
[M+HCOO]- 319.018651 173.6
[M+CH3COO]- 333.034301 195.3
[M+Na-2H]- 294.995116 158.4
[M]+ 274.01990142 175.6
[M]- 274.02099858 175.6
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

patents stripe