CID 2769628

3-bromo-4-hydroxyphenylacetic acid

Structural Information

Molecular Formula
C8H7BrO3
SMILES
C1=CC(=C(C=C1CC(=O)O)Br)O
InChI
InChI=1S/C8H7BrO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)
InChIKey
BFVCOQXPSXVGPS-UHFFFAOYSA-N
Compound name
2-(3-bromo-4-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

259
Patents

229.95786 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.96514 138.8
[M+Na]+ 252.94708 141.5
[M+NH4]+ 247.99168 142.7
[M+K]+ 268.92102 142.8
[M-H]- 228.95058 137.9
[M+Na-2H]- 250.93253 141.1
[M]+ 229.95731 137.6
[M]- 229.95841 137.6
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

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