CID 53403621

2-(4-bromo-2-methoxyphenyl)acetic acid

Structural Information

Molecular Formula
C9H9BrO3
SMILES
COC1=C(C=CC(=C1)Br)CC(=O)O
InChI
InChI=1S/C9H9BrO3/c1-13-8-5-7(10)3-2-6(8)4-9(11)12/h2-3,5H,4H2,1H3,(H,11,12)
InChIKey
RNRCAQYXOAHKGD-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-methoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

243.97351 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.98079 142.2
[M+Na]+ 266.96273 145.2
[M+NH4]+ 262.00733 146.3
[M+K]+ 282.93667 146.1
[M-H]- 242.96623 141.8
[M+Na-2H]- 264.94818 144.9
[M]+ 243.97296 141.2
[M]- 243.97406 141.2
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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