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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.