CID 171832399

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

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

0
Patents

288.09103 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09831 165.7
[M+Na]+ 311.08025 176.6
[M-H]- 287.08375 171.5
[M+NH4]+ 306.12485 173.4
[M+K]+ 327.05419 170.9
[M+H-H2O]+ 271.08829 155.9
[M+HCOO]- 333.08923 185.0
[M+CH3COO]- 347.10488 202.5
[M+Na-2H]- 309.06570 168.3
[M]+ 288.09048 168.7
[M]- 288.09158 168.7
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.