CID 15956837

Schembl6448685

Structural Information

Molecular Formula
C15H11FN4O3
SMILES
COC1=CC(=C(C=C1)C2=CC=NN2C3=C(C=CC=N3)[N+](=O)[O-])F
InChI
InChI=1S/C15H11FN4O3/c1-23-10-4-5-11(12(16)9-10)13-6-8-18-19(13)15-14(20(21)22)3-2-7-17-15/h2-9H,1H3
InChIKey
WWOANPGHSXOOIU-UHFFFAOYSA-N
Compound name
2-[5-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]-3-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

314.0815 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08878 167.9
[M+Na]+ 337.07072 176.6
[M-H]- 313.07422 173.7
[M+NH4]+ 332.11532 179.0
[M+K]+ 353.04466 167.8
[M+H-H2O]+ 297.07876 161.0
[M+HCOO]- 359.07970 190.0
[M+CH3COO]- 373.09535 199.8
[M+Na-2H]- 335.05617 173.8
[M]+ 314.08095 167.3
[M]- 314.08205 167.3
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

patents stripe