CID 10657986

Methyl 2-(5-bromo-2-hydroxyphenyl)acetate

Structural Information

Molecular Formula
C9H9BrO3
SMILES
COC(=O)CC1=C(C=CC(=C1)Br)O
InChI
InChI=1S/C9H9BrO3/c1-13-9(12)5-6-4-7(10)2-3-8(6)11/h2-4,11H,5H2,1H3
InChIKey
WDMIWHBNMUBGHF-UHFFFAOYSA-N
Compound name
methyl 2-(5-bromo-2-hydroxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

243.97351 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

patents stripe