CID 71604900

5-(1-(3-fluorophenyl)-1h-pyrazol-4-yl)-2h-tetrazole

Structural Information

Molecular Formula
C10H7FN6
SMILES
C1=CC(=CC(=C1)F)N2C=C(C=N2)C3=NNN=N3
InChI
InChI=1S/C10H7FN6/c11-8-2-1-3-9(4-8)17-6-7(5-12-17)10-13-15-16-14-10/h1-6H,(H,13,14,15,16)
InChIKey
VYCOCKQAMBHNCA-UHFFFAOYSA-N
Compound name
5-[1-(3-fluorophenyl)pyrazol-4-yl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

5
Patents

230.07162 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07890 145.3
[M+Na]+ 253.06084 157.3
[M-H]- 229.06434 146.3
[M+NH4]+ 248.10544 157.7
[M+K]+ 269.03478 151.5
[M+H-H2O]+ 213.06888 133.6
[M+HCOO]- 275.06982 164.5
[M+CH3COO]- 289.08547 157.1
[M+Na-2H]- 251.04629 150.1
[M]+ 230.07107 144.6
[M]- 230.07217 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe