CID 62487090

3-fluoro-4-(3-methyl-1h-pyrazol-1-yl)benzonitrile

Structural Information

Molecular Formula
C11H8FN3
SMILES
CC1=NN(C=C1)C2=C(C=C(C=C2)C#N)F
InChI
InChI=1S/C11H8FN3/c1-8-4-5-15(14-8)11-3-2-9(7-13)6-10(11)12/h2-6H,1H3
InChIKey
OLHRXTZWPLISBQ-UHFFFAOYSA-N
Compound name
3-fluoro-4-(3-methylpyrazol-1-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.07022 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.07750 144.4
[M+Na]+ 224.05944 157.8
[M+NH4]+ 219.10404 148.8
[M+K]+ 240.03338 149.0
[M-H]- 200.06294 138.6
[M+Na-2H]- 222.04489 149.4
[M]+ 201.06967 143.8
[M]- 201.07077 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.