CID 72873

8-bromo-1-naphthoic acid

Structural Information

Molecular Formula
C11H7BrO2
SMILES
C1=CC2=C(C(=C1)C(=O)O)C(=CC=C2)Br
InChI
InChI=1S/C11H7BrO2/c12-9-6-2-4-7-3-1-5-8(10(7)9)11(13)14/h1-6H,(H,13,14)
InChIKey
DMEZDDHJCUHENA-UHFFFAOYSA-N
Compound name
8-bromonaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

101
Patents

249.96294 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.970216 144.6
[M+Na]+ 272.952158 156.6
[M-H]- 248.955664 150.9
[M+NH4]+ 267.996763 165.9
[M+K]+ 288.926098 145.2
[M+H-H2O]+ 232.960200 145.2
[M+HCOO]- 294.961141 164.0
[M+CH3COO]- 308.976791 188.7
[M+Na-2H]- 270.937606 152.6
[M]+ 249.96239142 163.0
[M]- 249.96348858 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe