CID 62142176

4-bromo-2-(cyclobutoxymethyl)-1-methoxybenzene

Structural Information

Molecular Formula
C12H15BrO2
SMILES
COC1=C(C=C(C=C1)Br)COC2CCC2
InChI
InChI=1S/C12H15BrO2/c1-14-12-6-5-10(13)7-9(12)8-15-11-3-2-4-11/h5-7,11H,2-4,8H2,1H3
InChIKey
XCBBYGUVONHBCW-UHFFFAOYSA-N
Compound name
4-bromo-2-(cyclobutyloxymethyl)-1-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.02554 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.03282 149.2
[M+Na]+ 293.01476 149.2
[M+NH4]+ 288.05936 151.1
[M+K]+ 308.98870 150.0
[M-H]- 269.01826 148.9
[M+Na-2H]- 291.00021 151.4
[M]+ 270.02499 147.0
[M]- 270.02609 147.0
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.