CID 710476

37509-14-1

Structural Information

Molecular Formula
C14H12BrNO2
SMILES
C1CCC2=NC3=C(C=C(C=C3)Br)C(=C2C1)C(=O)O
InChI
InChI=1S/C14H12BrNO2/c15-8-5-6-12-10(7-8)13(14(17)18)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H,17,18)
InChIKey
INXRKMNRRUIKBF-UHFFFAOYSA-N
Compound name
7-bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

305.00513 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.01241 160.8
[M+Na]+ 327.99435 171.3
[M-H]- 303.99785 165.8
[M+NH4]+ 323.03895 179.5
[M+K]+ 343.96829 159.4
[M+H-H2O]+ 288.00239 160.2
[M+HCOO]- 350.00333 175.0
[M+CH3COO]- 364.01898 173.5
[M+Na-2H]- 325.97980 167.5
[M]+ 305.00458 177.1
[M]- 305.00568 177.1
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

No patent data available for this compound.