CID 16228174

7-bromo-2-methylquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C11H8BrNO2
SMILES
CC1=CC(=C2C=CC(=CC2=N1)Br)C(=O)O
InChI
InChI=1S/C11H8BrNO2/c1-6-4-9(11(14)15)8-3-2-7(12)5-10(8)13-6/h2-5H,1H3,(H,14,15)
InChIKey
CCSVETPERRNKDU-UHFFFAOYSA-N
Compound name
7-bromo-2-methylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

264.97385 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.981126 147.4
[M+Na]+ 287.963068 160.2
[M-H]- 263.966574 152.6
[M+NH4]+ 283.007673 167.1
[M+K]+ 303.937008 148.6
[M+H-H2O]+ 247.971110 147.3
[M+HCOO]- 309.972051 165.6
[M+CH3COO]- 323.987701 192.2
[M+Na-2H]- 285.948516 154.9
[M]+ 264.97330142 166.7
[M]- 264.97439858 166.7
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