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 147.7
[M+Na]+ 280.97839 158.0
[M-H]- 256.98189 152.5
[M+NH4]+ 276.02299 167.5
[M+K]+ 296.95233 147.3
[M+H-H2O]+ 240.98643 147.6
[M+HCOO]- 302.98737 167.7
[M+CH3COO]- 317.00302 189.0
[M+Na-2H]- 278.96384 153.8
[M]+ 257.98862 167.8
[M]- 257.98972 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