CID 22631184

2-fluoro-4-(1h-pyrazol-1-yl)benzonitrile

Structural Information

Molecular Formula
C10H6FN3
SMILES
C1=CN(N=C1)C2=CC(=C(C=C2)C#N)F
InChI
InChI=1S/C10H6FN3/c11-10-6-9(3-2-8(10)7-12)14-5-1-4-13-14/h1-6H
InChIKey
QMVQCZURALJGBP-UHFFFAOYSA-N
Compound name
2-fluoro-4-pyrazol-1-ylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

187.05458 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.06186 135.3
[M+Na]+ 210.04380 147.0
[M-H]- 186.04730 137.0
[M+NH4]+ 205.08840 151.9
[M+K]+ 226.01774 142.1
[M+H-H2O]+ 170.05184 119.5
[M+HCOO]- 232.05278 154.2
[M+CH3COO]- 246.06843 147.2
[M+Na-2H]- 208.02925 140.4
[M]+ 187.05403 129.1
[M]- 187.05513 129.1
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