CID 2064161

5-bromo-2-butoxybenzoic acid

Structural Information

Molecular Formula
C11H13BrO3
SMILES
CCCCOC1=C(C=C(C=C1)Br)C(=O)O
InChI
InChI=1S/C11H13BrO3/c1-2-3-6-15-10-5-4-8(12)7-9(10)11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKey
RCXOVWCSSBXAIH-UHFFFAOYSA-N
Compound name
5-bromo-2-butoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.00482 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.01210 151.3
[M+Na]+ 294.99404 153.9
[M+NH4]+ 290.03864 155.0
[M+K]+ 310.96798 154.2
[M-H]- 270.99754 150.7
[M+Na-2H]- 292.97949 153.4
[M]+ 272.00427 150.2
[M]- 272.00537 150.2
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.