CID 45599454

7-bromo-2,8-dimethylquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C12H10BrNO2
SMILES
CC1=C(C=CC2=CC(=C(N=C12)C)C(=O)O)Br
InChI
InChI=1S/C12H10BrNO2/c1-6-10(13)4-3-8-5-9(12(15)16)7(2)14-11(6)8/h3-5H,1-2H3,(H,15,16)
InChIKey
WLPLPFSWQMZHOT-UHFFFAOYSA-N
Compound name
7-bromo-2,8-dimethylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.9895 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.996776 151.6
[M+Na]+ 301.978718 164.8
[M-H]- 277.982224 157.0
[M+NH4]+ 297.023323 171.0
[M+K]+ 317.952658 153.0
[M+H-H2O]+ 261.986760 151.4
[M+HCOO]- 323.987701 169.4
[M+CH3COO]- 338.003351 196.2
[M+Na-2H]- 299.964166 157.9
[M]+ 278.98895142 171.6
[M]- 278.99004858 171.6
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