CID 26419

4-bromo-3-hydroxy-2-naphthoic acid

Structural Information

Molecular Formula
C11H7BrO3
SMILES
C1=CC=C2C(=C1)C=C(C(=C2Br)O)C(=O)O
InChI
InChI=1S/C11H7BrO3/c12-9-7-4-2-1-3-6(7)5-8(10(9)13)11(14)15/h1-5,13H,(H,14,15)
InChIKey
HBUFBIFPUAHIDX-UHFFFAOYSA-N
Compound name
4-bromo-3-hydroxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

265.95786 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.96514 147.6
[M+Na]+ 288.94708 159.7
[M-H]- 264.95058 152.8
[M+NH4]+ 283.99168 167.7
[M+K]+ 304.92102 148.0
[M+H-H2O]+ 248.95512 148.1
[M+HCOO]- 310.95606 165.6
[M+CH3COO]- 324.97171 189.5
[M+Na-2H]- 286.93253 154.4
[M]+ 265.95731 165.9
[M]- 265.95841 165.9
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