CID 12134897

Ethyl 4-bromo-3-hydroxybenzoate

Structural Information

Molecular Formula
C9H9BrO3
SMILES
CCOC(=O)C1=CC(=C(C=C1)Br)O
InChI
InChI=1S/C9H9BrO3/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,11H,2H2,1H3
InChIKey
HHPLZHCMBRSFQW-UHFFFAOYSA-N
Compound name
ethyl 4-bromo-3-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

243.97351 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.980786 142.4
[M+Na]+ 266.962728 154.1
[M-H]- 242.966234 147.8
[M+NH4]+ 262.007333 163.1
[M+K]+ 282.936668 143.6
[M+H-H2O]+ 226.970770 142.6
[M+HCOO]- 288.971711 162.7
[M+CH3COO]- 302.987361 186.7
[M+Na-2H]- 264.948176 148.4
[M]+ 243.97296142 162.5
[M]- 243.97405858 162.5
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