CID 19382744

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

Structural Information

Molecular Formula
C5H7FN2
SMILES
CC1=C(C(=NN1)C)F
InChI
InChI=1S/C5H7FN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)
InChIKey
MBXNQRHRCODJIU-UHFFFAOYSA-N
Compound name
4-fluoro-3,5-dimethyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
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 118.5
[M+Na]+ 137.04854 129.1
[M-H]- 113.05205 117.6
[M+NH4]+ 132.09315 140.2
[M+K]+ 153.02248 127.1
[M+H-H2O]+ 97.056586 111.9
[M+HCOO]- 159.05753 140.0
[M+CH3COO]- 173.07318 167.1
[M+Na-2H]- 135.03399 124.0
[M]+ 114.05878 116.5
[M]- 114.05987 116.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe