CID 7010674

126771-41-3

Structural Information

Molecular Formula
C9H9BrO3
SMILES
C1=CC(=CC=C1CBr)OCC(=O)O
InChI
InChI=1S/C9H9BrO3/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-4H,5-6H2,(H,11,12)
InChIKey
COFFWUSSQYARLB-UHFFFAOYSA-N
Compound name
2-[4-(bromomethyl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

243.97351 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.980786 143.1
[M+Na]+ 266.962728 153.8
[M-H]- 242.966234 148.0
[M+NH4]+ 262.007333 163.4
[M+K]+ 282.936668 143.3
[M+H-H2O]+ 226.970770 143.1
[M+HCOO]- 288.971711 163.4
[M+CH3COO]- 302.987361 186.2
[M+Na-2H]- 264.948176 149.7
[M]+ 243.97296142 162.8
[M]- 243.97405858 162.8
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