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
1
Annotation Hits

0
References

158
Patents

274.02045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.02773 151.7
[M+Na]+ 297.00967 162.9
[M-H]- 273.01317 158.0
[M+NH4]+ 292.05427 172.1
[M+K]+ 312.98361 153.1
[M+H-H2O]+ 257.01771 151.2
[M+HCOO]- 319.01865 173.6
[M+CH3COO]- 333.03430 195.3
[M+Na-2H]- 294.99512 158.4
[M]+ 274.01990 175.6
[M]- 274.02100 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