CID 66734166

2-(3-bromo-5-hydroxyphenyl)acetic acid

Structural Information

Molecular Formula
C8H7BrO3
SMILES
C1=C(C=C(C=C1O)Br)CC(=O)O
InChI
InChI=1S/C8H7BrO3/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4,10H,3H2,(H,11,12)
InChIKey
HEVGCOVCYZLVOV-UHFFFAOYSA-N
Compound name
2-(3-bromo-5-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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

No literature data available for this compound.

Patent stripe

patents stripe