CID 45599449

7-bromo-8-methylquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C11H8BrNO2
SMILES
CC1=C(C=CC2=CC(=CN=C12)C(=O)O)Br
InChI
InChI=1S/C11H8BrNO2/c1-6-9(12)3-2-7-4-8(11(14)15)5-13-10(6)7/h2-5H,1H3,(H,14,15)
InChIKey
BVMNIAXJORZCRN-UHFFFAOYSA-N
Compound name
7-bromo-8-methylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.97385 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.98113 147.4
[M+Na]+ 287.96307 160.2
[M-H]- 263.96657 152.6
[M+NH4]+ 283.00767 167.1
[M+K]+ 303.93701 148.6
[M+H-H2O]+ 247.97111 147.3
[M+HCOO]- 309.97205 165.6
[M+CH3COO]- 323.98770 192.2
[M+Na-2H]- 285.94852 154.9
[M]+ 264.97330 166.7
[M]- 264.97440 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.