CID 4087319

10-bromo-9-anthracenecarboxylic acid

Structural Information

Molecular Formula
C15H9BrO2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Br)C(=O)O
InChI
InChI=1S/C15H9BrO2/c16-14-11-7-3-1-5-9(11)13(15(17)18)10-6-2-4-8-12(10)14/h1-8H,(H,17,18)
InChIKey
WBDRSGFQJKKJCW-UHFFFAOYSA-N
Compound name
10-bromoanthracene-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

299.97858 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.985856 158.2
[M+Na]+ 322.967798 171.1
[M-H]- 298.971304 165.5
[M+NH4]+ 318.012403 178.5
[M+K]+ 338.941738 158.9
[M+H-H2O]+ 282.975840 158.1
[M+HCOO]- 344.976781 177.2
[M+CH3COO]- 358.992431 172.7
[M+Na-2H]- 320.953246 167.0
[M]+ 299.97803142 178.2
[M]- 299.97912858 178.2
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