CID 3302765

2-[(3-bromophenyl)methoxy]benzoic acid

Structural Information

Molecular Formula
C14H11BrO3
SMILES
C1=CC=C(C(=C1)C(=O)O)OCC2=CC(=CC=C2)Br
InChI
InChI=1S/C14H11BrO3/c15-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(16)17/h1-8H,9H2,(H,16,17)
InChIKey
XXEHDADBNHDAIB-UHFFFAOYSA-N
Compound name
2-[(3-bromophenyl)methoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

305.98917 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.996446 159.6
[M+Na]+ 328.978388 169.9
[M-H]- 304.981894 167.5
[M+NH4]+ 324.022993 177.3
[M+K]+ 344.952328 158.6
[M+H-H2O]+ 288.986430 158.6
[M+HCOO]- 350.987371 179.6
[M+CH3COO]- 365.003021 197.4
[M+Na-2H]- 326.963836 165.3
[M]+ 305.98862142 179.0
[M]- 305.98971858 179.0
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

patents stripe