CID 14113943

117767-00-7

Structural Information

Molecular Formula
C10H8N4
SMILES
C1=CC=C(C=C1)N2C(=C(C=N2)N)C#N
InChI
InChI=1S/C10H8N4/c11-6-10-9(12)7-13-14(10)8-4-2-1-3-5-8/h1-5,7H,12H2
InChIKey
FVLDCENTRAKGRV-UHFFFAOYSA-N
Compound name
4-amino-1-phenylpyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

184.07489 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.082166 140.1
[M+Na]+ 207.064108 150.8
[M-H]- 183.067614 142.6
[M+NH4]+ 202.108713 156.2
[M+K]+ 223.038048 146.2
[M+H-H2O]+ 167.072150 124.9
[M+HCOO]- 229.073091 160.1
[M+CH3COO]- 243.088741 151.5
[M+Na-2H]- 205.049556 144.9
[M]+ 184.07434142 133.2
[M]- 184.07543858 133.2
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