CID 15055508

3-fluoro-1h-pyrazole

Structural Information

Molecular Formula
C3H3FN2
SMILES
C1=C(NN=C1)F
InChI
InChI=1S/C3H3FN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKey
WNDHCIJGEKNYNF-UHFFFAOYSA-N
Compound name
5-fluoro-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

617
Patents

86.02802 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.035296 109.8
[M+Na]+ 109.01724 119.3
[M-H]- 85.020744 108.4
[M+NH4]+ 104.06184 131.9
[M+K]+ 124.99118 117.9
[M+H-H2O]+ 69.025280 102.8
[M+HCOO]- 131.02622 131.9
[M+CH3COO]- 145.04187 158.8
[M+Na-2H]- 107.00269 117.8
[M]+ 86.027471 106.2
[M]- 86.028569 106.2
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