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

102
Patents

114.059326 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.06660 117.5
[M+Na]+ 137.04854 128.5
[M-H]- 113.05205 117.9
[M+NH4]+ 132.09315 139.9
[M+K]+ 153.02248 127.4
[M+H-H2O]+ 97.056586 110.6
[M+HCOO]- 159.05753 140.4
[M+CH3COO]- 173.07318 169.8
[M+Na-2H]- 135.03399 123.5
[M]+ 114.05878 117.3
[M]- 114.05987 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