CID 167721010

1-cyclopropyl-5-fluoro-4-iodo-1h-pyrazole

Structural Information

Molecular Formula
C6H6FIN2
SMILES
C1CC1N2C(=C(C=N2)I)F
InChI
InChI=1S/C6H6FIN2/c7-6-5(8)3-9-10(6)4-1-2-4/h3-4H,1-2H2
InChIKey
AQPJVDNAIJZLTP-UHFFFAOYSA-N
Compound name
1-cyclopropyl-5-fluoro-4-iodopyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.95596 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.963236 130.6
[M+Na]+ 274.945178 135.8
[M-H]- 250.948684 128.1
[M+NH4]+ 269.989783 142.2
[M+K]+ 290.919118 138.0
[M+H-H2O]+ 234.953220 119.4
[M+HCOO]- 296.954161 148.6
[M+CH3COO]- 310.969811 186.2
[M+Na-2H]- 272.930626 124.8
[M]+ 251.95541142 129.5
[M]- 251.95650858 129.5
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

No patent data available for this compound.