CID 259378

3-nitro-3h-1,5-benzodiazepine

Structural Information

Molecular Formula
C9H7N3O2
SMILES
C1=CC=C2C(=C1)N=CC(C=N2)[N+](=O)[O-]
InChI
InChI=1S/C9H7N3O2/c13-12(14)7-5-10-8-3-1-2-4-9(8)11-6-7/h1-7H
InChIKey
SGIGOTZNQITOJU-UHFFFAOYSA-N
Compound name
3-nitro-3H-1,5-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.05383 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06111 137.3
[M+Na]+ 212.04305 150.1
[M+NH4]+ 207.08765 144.9
[M+K]+ 228.01699 147.5
[M-H]- 188.04655 140.1
[M+Na-2H]- 210.02850 144.7
[M]+ 189.05328 139.9
[M]- 189.05438 139.9
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.