CID 90419720

5-fluoro-4-iodo-1-(propan-2-yl)-1h-pyrazole

Structural Information

Molecular Formula
C6H8FIN2
SMILES
CC(C)N1C(=C(C=N1)I)F
InChI
InChI=1S/C6H8FIN2/c1-4(2)10-6(7)5(8)3-9-10/h3-4H,1-2H3
InChIKey
SOGBXVZFWQGSFB-UHFFFAOYSA-N
Compound name
5-fluoro-4-iodo-1-propan-2-ylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

253.97162 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.97890 130.1
[M+Na]+ 276.96084 133.1
[M-H]- 252.96434 123.7
[M+NH4]+ 272.00544 146.2
[M+K]+ 292.93478 137.6
[M+H-H2O]+ 236.96888 119.6
[M+HCOO]- 298.96982 146.7
[M+CH3COO]- 312.98547 185.3
[M+Na-2H]- 274.94629 122.5
[M]+ 253.97107 127.4
[M]- 253.97217 127.4
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