CID 3069074

Brn 5745234

Structural Information

Molecular Formula
C10H7N5O
SMILES
C1=CC=C(C=C1)N2C=CC(=N2)[N+](=NC#N)[O-]
InChI
InChI=1S/C10H7N5O/c11-8-12-15(16)10-6-7-14(13-10)9-4-2-1-3-5-9/h1-7H
InChIKey
SWWGWOYVCFPJME-UHFFFAOYSA-N
Compound name
cyanoimino-oxido-(1-phenylpyrazol-3-yl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.06506 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.07234 149.0
[M+Na]+ 236.05428 157.5
[M-H]- 212.05778 152.4
[M+NH4]+ 231.09888 163.4
[M+K]+ 252.02822 150.2
[M+H-H2O]+ 196.06232 136.6
[M+HCOO]- 258.06326 171.2
[M+CH3COO]- 272.07891 195.9
[M+Na-2H]- 234.03973 156.5
[M]+ 213.06451 141.4
[M]- 213.06561 141.4
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

No patent data available for this compound.