CID 18413344

4-fluoro-3-methyl-1h-pyrazole

Structural Information

Molecular Formula
C4H5FN2
SMILES
CC1=C(C=NN1)F
InChI
InChI=1S/C4H5FN2/c1-3-4(5)2-6-7-3/h2H,1H3,(H,6,7)
InChIKey
OFPLNBAFXLMBEM-UHFFFAOYSA-N
Compound name
4-fluoro-5-methyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

100.04368 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05096 116.4
[M+Na]+ 123.03290 127.6
[M+NH4]+ 118.07750 124.2
[M+K]+ 139.00684 124.0
[M-H]- 99.036404 115.2
[M+Na-2H]- 121.01835 122.0
[M]+ 100.04313 117.4
[M]- 100.04423 117.4
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