CID 5341008

35548-91-5

Structural Information

Molecular Formula
C9H7N5O2
SMILES
C1=CC=C(C(=C1)/C=N/N2C=NN=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H7N5O2/c15-14(16)9-4-2-1-3-8(9)5-12-13-6-10-11-7-13/h1-7H/b12-5+
InChIKey
KUPRONFXIPRGPP-LFYBBSHMSA-N
Compound name
(E)-1-(2-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.05997 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.06725 142.4
[M+Na]+ 240.04919 150.1
[M-H]- 216.05269 147.1
[M+NH4]+ 235.09379 157.7
[M+K]+ 256.02313 143.7
[M+H-H2O]+ 200.05723 137.2
[M+HCOO]- 262.05817 169.0
[M+CH3COO]- 276.07382 183.6
[M+Na-2H]- 238.03464 152.7
[M]+ 217.05942 141.1
[M]- 217.06052 141.1
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.