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

19
Patents

169.064 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07128 134.8
[M+Na]+ 192.05322 145.8
[M-H]- 168.05672 137.4
[M+NH4]+ 187.09782 151.8
[M+K]+ 208.02716 141.1
[M+H-H2O]+ 152.06126 119.6
[M+HCOO]- 214.06220 154.5
[M+CH3COO]- 228.07785 146.8
[M+Na-2H]- 190.03867 140.9
[M]+ 169.06345 129.2
[M]- 169.06455 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