CID 66974728

5-fluoro-1,3-dimethyl-1h-pyrazole

Structural Information

Molecular Formula
C5H7FN2
SMILES
CC1=NN(C(=C1)F)C
InChI
InChI=1S/C5H7FN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3
InChIKey
YBSBUXVXUOXKOR-UHFFFAOYSA-N
Compound name
5-fluoro-1,3-dimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

114.059326 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.066602 117.5
[M+Na]+ 137.048544 128.5
[M-H]- 113.052050 117.9
[M+NH4]+ 132.093149 139.9
[M+K]+ 153.022484 127.4
[M+H-H2O]+ 97.056586 110.6
[M+HCOO]- 159.057527 140.4
[M+CH3COO]- 173.073177 169.8
[M+Na-2H]- 135.033992 123.5
[M]+ 114.05877742 117.3
[M]- 114.05987458 117.3
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