CID 12475720

5-fluoro-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C4H5FN2
SMILES
CN1C(=CC=N1)F
InChI
InChI=1S/C4H5FN2/c1-7-4(5)2-3-6-7/h2-3H,1H3
InChIKey
HRPGIUQCVKHIHK-UHFFFAOYSA-N
Compound name
5-fluoro-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
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 113.2
[M+Na]+ 123.03290 123.7
[M-H]- 99.036404 113.4
[M+NH4]+ 118.07750 135.9
[M+K]+ 139.00684 123.0
[M+H-H2O]+ 83.040940 106.2
[M+HCOO]- 145.04188 136.5
[M+CH3COO]- 159.05753 165.7
[M+Na-2H]- 121.01835 120.5
[M]+ 100.04313 112.3
[M]- 100.04423 112.3
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