CID 608101

2-(3-bromophenoxy)propanoic acid

Structural Information

Molecular Formula
C9H9BrO3
SMILES
CC(C(=O)O)OC1=CC(=CC=C1)Br
InChI
InChI=1S/C9H9BrO3/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,1H3,(H,11,12)
InChIKey
CVTUTWGZPGJAQL-UHFFFAOYSA-N
Compound name
2-(3-bromophenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

243.97351 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.980786 143.5
[M+Na]+ 266.962728 153.9
[M-H]- 242.966234 148.5
[M+NH4]+ 262.007333 163.7
[M+K]+ 282.936668 143.9
[M+H-H2O]+ 226.970770 143.6
[M+HCOO]- 288.971711 162.9
[M+CH3COO]- 302.987361 187.0
[M+Na-2H]- 264.948176 148.9
[M]+ 243.97296142 162.6
[M]- 243.97405858 162.6
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

patents stripe