CID 145913324

2111309-44-3

Structural Information

Molecular Formula
C6H6FN3
SMILES
CC1=NN(C(=C1C#N)F)C
InChI
InChI=1S/C6H6FN3/c1-4-5(3-8)6(7)10(2)9-4/h1-2H3
InChIKey
JIORRBGQHZYOAW-UHFFFAOYSA-N
Compound name
5-fluoro-1,3-dimethylpyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.05458 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.06186 119.7
[M+Na]+ 162.04380 132.0
[M-H]- 138.04730 119.7
[M+NH4]+ 157.08840 138.8
[M+K]+ 178.01774 130.3
[M+H-H2O]+ 122.05184 105.7
[M+HCOO]- 184.05278 138.6
[M+CH3COO]- 198.06843 188.0
[M+Na-2H]- 160.02925 124.5
[M]+ 139.05403 115.0
[M]- 139.05513 115.0
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

No patent data available for this compound.