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

1
Patents

278.9895 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.99678 151.6
[M+Na]+ 301.97872 164.8
[M-H]- 277.98222 157.0
[M+NH4]+ 297.02332 171.0
[M+K]+ 317.95266 153.0
[M+H-H2O]+ 261.98676 151.4
[M+HCOO]- 323.98770 169.4
[M+CH3COO]- 338.00335 196.2
[M+Na-2H]- 299.96417 157.9
[M]+ 278.98895 171.6
[M]- 278.99005 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