CID 71833013

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

Structural Information

Molecular Formula
C5H6FIN2
SMILES
CCN1C(=C(C=N1)I)F
InChI
InChI=1S/C5H6FIN2/c1-2-9-5(6)4(7)3-8-9/h3H,2H2,1H3
InChIKey
GNGIUJOCVFGJLH-UHFFFAOYSA-N
Compound name
1-ethyl-5-fluoro-4-iodopyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.95596 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.96324 125.4
[M+Na]+ 262.94518 129.0
[M-H]- 238.94868 119.0
[M+NH4]+ 257.98978 142.0
[M+K]+ 278.91912 133.4
[M+H-H2O]+ 222.95322 115.0
[M+HCOO]- 284.95416 143.2
[M+CH3COO]- 298.96981 181.7
[M+Na-2H]- 260.93063 119.4
[M]+ 239.95541 123.0
[M]- 239.95651 123.0
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