CID 15956824

Schembl626539

Structural Information

Molecular Formula
C16H13FN2O
SMILES
COC1=CC=CC=C1C2=CC=NN2C3=CC=CC=C3F
InChI
InChI=1S/C16H13FN2O/c1-20-16-9-5-2-6-12(16)14-10-11-18-19(14)15-8-4-3-7-13(15)17/h2-11H,1H3
InChIKey
ZQQGJBHEPYRZPS-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-5-(2-methoxyphenyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

268.1012 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10848 159.0
[M+Na]+ 291.09042 168.9
[M-H]- 267.09392 165.6
[M+NH4]+ 286.13502 174.4
[M+K]+ 307.06436 163.6
[M+H-H2O]+ 251.09846 148.6
[M+HCOO]- 313.09940 181.4
[M+CH3COO]- 327.11505 171.5
[M+Na-2H]- 289.07587 162.9
[M]+ 268.10065 159.5
[M]- 268.10175 159.5
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