CID 24769573

2-[2-(4-bromophenyl)ethoxy]acetic acid

Structural Information

Molecular Formula
C10H11BrO3
SMILES
C1=CC(=CC=C1CCOCC(=O)O)Br
InChI
InChI=1S/C10H11BrO3/c11-9-3-1-8(2-4-9)5-6-14-7-10(12)13/h1-4H,5-7H2,(H,12,13)
InChIKey
VYXSSNOVENWTFH-UHFFFAOYSA-N
Compound name
2-[2-(4-bromophenyl)ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

257.98917 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.99645 147.4
[M+Na]+ 280.97839 149.8
[M+NH4]+ 276.02299 151.2
[M+K]+ 296.95233 150.2
[M-H]- 256.98189 146.8
[M+Na-2H]- 278.96384 149.9
[M]+ 257.98862 146.2
[M]- 257.98972 146.2
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