CID 4778964

Ethyl 3-bromo-4-hydroxybenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

243.97351 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.98079 142.4
[M+Na]+ 266.96273 154.1
[M-H]- 242.96623 147.8
[M+NH4]+ 262.00733 163.1
[M+K]+ 282.93667 143.6
[M+H-H2O]+ 226.97077 142.6
[M+HCOO]- 288.97171 162.7
[M+CH3COO]- 302.98736 186.7
[M+Na-2H]- 264.94818 148.4
[M]+ 243.97296 162.5
[M]- 243.97406 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

literature stripe

Patent stripe

patents stripe