CID 55218403

4-ethynyl-3-phenyl-1h-pyrazole

Structural Information

Molecular Formula
C11H8N2
SMILES
C#CC1=C(NN=C1)C2=CC=CC=C2
InChI
InChI=1S/C11H8N2/c1-2-9-8-12-13-11(9)10-6-4-3-5-7-10/h1,3-8H,(H,12,13)
InChIKey
NOPUAFGOPVZLOB-UHFFFAOYSA-N
Compound name
4-ethynyl-5-phenyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.06874 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07602 138.3
[M+Na]+ 191.05796 152.0
[M+NH4]+ 186.10256 143.4
[M+K]+ 207.03190 143.2
[M-H]- 167.06146 132.9
[M+Na-2H]- 189.04341 143.8
[M]+ 168.06819 137.9
[M]- 168.06929 137.9
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.