CID 171832399

Refchem:491962

Structural Information

Molecular Formula

C₁₅H₁₃FN₂O₃

SMILES

CC1=CC(=C(N=N1)OC2=CC=CC(=C2F)C3CC3)C(=O)O

InChI

InChI=1S/C15H13FN2O3/c1-8-7-11(15(19)20)14(18-17-8)21-12-4-2-3-10(13(12)16)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,19,20)

InChIKey

RRLYFKAQXYIPPI-UHFFFAOYSA-N

Compound name

3-(3-cyclopropyl-2-fluorophenoxy)-6-methylpyridazine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 288.09103 Da
Monoisotopic Mass: 2.6
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]+	289.098306	165.7
[M+Na]+	311.080248	176.6
[M-H]-	287.083754	171.5
[M+NH4]+	306.124853	173.4
[M+K]+	327.054188	170.9
[M+H-H2O]+	271.088290	155.9
[M+HCOO]-	333.089231	185.0
[M+CH3COO]-	347.104881	202.5
[M+Na-2H]-	309.065696	168.3
[M]+	288.09048142	168.7
[M]-	288.09157858	168.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe