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]+ 252.96324 130.6
[M+Na]+ 274.94518 135.8
[M-H]- 250.94868 128.1
[M+NH4]+ 269.98978 142.2
[M+K]+ 290.91912 138.0
[M+H-H2O]+ 234.95322 119.4
[M+HCOO]- 296.95416 148.6
[M+CH3COO]- 310.96981 186.2
[M+Na-2H]- 272.93063 124.8
[M]+ 251.95541 129.5
[M]- 251.95651 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.