CID 58464989

1-(2-fluoroethyl)-4-nitro-1h-pyrazole

Structural Information

Molecular Formula
C5H6FN3O2
SMILES
C1=C(C=NN1CCF)[N+](=O)[O-]
InChI
InChI=1S/C5H6FN3O2/c6-1-2-8-4-5(3-7-8)9(10)11/h3-4H,1-2H2
InChIKey
RKIKDIVGRMPBJM-UHFFFAOYSA-N
Compound name
1-(2-fluoroethyl)-4-nitropyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

159.0444 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05168 127.0
[M+Na]+ 182.03362 135.8
[M-H]- 158.03712 127.2
[M+NH4]+ 177.07822 146.2
[M+K]+ 198.00756 130.8
[M+H-H2O]+ 142.04166 123.9
[M+HCOO]- 204.04260 151.2
[M+CH3COO]- 218.05825 170.0
[M+Na-2H]- 180.01907 135.1
[M]+ 159.04385 125.1
[M]- 159.04495 125.1
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