CID 10909970

1-phenyl-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C10H7N3
SMILES
C1=CC=C(C=C1)N2C=C(C=N2)C#N
InChI
InChI=1S/C10H7N3/c11-6-9-7-12-13(8-9)10-4-2-1-3-5-10/h1-5,7-8H
InChIKey
QXUOMWCBAUSGQT-UHFFFAOYSA-N
Compound name
1-phenylpyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

169.064 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.071276 134.8
[M+Na]+ 192.053218 145.8
[M-H]- 168.056724 137.4
[M+NH4]+ 187.097823 151.8
[M+K]+ 208.027158 141.1
[M+H-H2O]+ 152.061260 119.6
[M+HCOO]- 214.062201 154.5
[M+CH3COO]- 228.077851 146.8
[M+Na-2H]- 190.038666 140.9
[M]+ 169.06345142 129.2
[M]- 169.06454858 129.2
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