CID 14696378

5043-21-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

249.96294 Da
Monoisotopic Mass

3.5
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

No literature data available for this compound.

Patent stripe

patents stripe