CID 18413344

133915-74-9

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

129
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 114.2
[M+Na]+ 123.03290 124.3
[M-H]- 99.036404 113.0
[M+NH4]+ 118.07750 136.1
[M+K]+ 139.00684 122.5
[M+H-H2O]+ 83.040940 107.4
[M+HCOO]- 145.04188 136.0
[M+CH3COO]- 159.05753 162.9
[M+Na-2H]- 121.01835 120.9
[M]+ 100.04313 111.4
[M]- 100.04423 111.4
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