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]+ 258.996446 147.7
[M+Na]+ 280.978388 158.0
[M-H]- 256.981894 152.5
[M+NH4]+ 276.022993 167.5
[M+K]+ 296.952328 147.3
[M+H-H2O]+ 240.986430 147.6
[M+HCOO]- 302.987371 167.7
[M+CH3COO]- 317.003021 189.0
[M+Na-2H]- 278.963836 153.8
[M]+ 257.98862142 167.8
[M]- 257.98971858 167.8
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