CID 248359

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

14
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 142.2
[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

patents stripe