CID 70769

1-phenylpyrazole

Structural Information

Molecular Formula
C9H8N2
SMILES
C1=CC=C(C=C1)N2C=CC=N2
InChI
InChI=1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H
InChIKey
WITMXBRCQWOZPX-UHFFFAOYSA-N
Compound name
1-phenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

14021
Patents

144.06874 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.07602 128.5
[M+Na]+ 167.05796 143.0
[M+NH4]+ 162.10256 138.0
[M+K]+ 183.03190 137.2
[M-H]- 143.06146 132.1
[M+Na-2H]- 165.04341 138.8
[M]+ 144.06819 131.6
[M]- 144.06929 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe