CID 28605133

2-(3-bromophenoxy)benzoic acid

Structural Information

Molecular Formula
C13H9BrO3
SMILES
C1=CC=C(C(=C1)C(=O)O)OC2=CC(=CC=C2)Br
InChI
InChI=1S/C13H9BrO3/c14-9-4-3-5-10(8-9)17-12-7-2-1-6-11(12)13(15)16/h1-8H,(H,15,16)
InChIKey
QSUCZMCOVPCEKA-UHFFFAOYSA-N
Compound name
2-(3-bromophenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.9735 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.98078 154.9
[M+Na]+ 314.96272 165.7
[M-H]- 290.96622 163.1
[M+NH4]+ 310.00732 173.2
[M+K]+ 330.93666 154.6
[M+H-H2O]+ 274.97076 154.2
[M+HCOO]- 336.97170 175.3
[M+CH3COO]- 350.98735 194.6
[M+Na-2H]- 312.94817 161.2
[M]+ 291.97295 174.0
[M]- 291.97405 174.0
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

No patent data available for this compound.