CID 59173021

3-fluoro-4-iodo-1-methyl-pyrazole

Structural Information

Molecular Formula
C4H4FIN2
SMILES
CN1C=C(C(=N1)F)I
InChI
InChI=1S/C4H4FIN2/c1-8-2-3(6)4(5)7-8/h2H,1H3
InChIKey
OIUIOZHFZANROW-UHFFFAOYSA-N
Compound name
3-fluoro-4-iodo-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

225.94032 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.94760 120.4
[M+Na]+ 248.92954 124.5
[M-H]- 224.93304 114.2
[M+NH4]+ 243.97414 137.7
[M+K]+ 264.90348 129.1
[M+H-H2O]+ 208.93758 110.3
[M+HCOO]- 270.93852 138.6
[M+CH3COO]- 284.95417 178.8
[M+Na-2H]- 246.91499 115.1
[M]+ 225.93977 117.7
[M]- 225.94087 117.7
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

patents stripe