CID 104276773

1-(4-ethynylphenyl)-1h-pyrazole

Structural Information

Molecular Formula
C11H8N2
SMILES
C#CC1=CC=C(C=C1)N2C=CC=N2
InChI
InChI=1S/C11H8N2/c1-2-10-4-6-11(7-5-10)13-9-3-8-12-13/h1,3-9H
InChIKey
SAYWAWNHJKVUOO-UHFFFAOYSA-N
Compound name
1-(4-ethynylphenyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

168.06874 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07602 135.5
[M+Na]+ 191.05796 146.8
[M-H]- 167.06146 137.0
[M+NH4]+ 186.10256 152.4
[M+K]+ 207.03190 141.0
[M+H-H2O]+ 151.06600 121.0
[M+HCOO]- 213.06694 152.9
[M+CH3COO]- 227.08259 147.2
[M+Na-2H]- 189.04341 140.5
[M]+ 168.06819 129.3
[M]- 168.06929 129.3
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