CID 356301

4-nitro-n-phenyl-2,1,3-benzoxadiazol-7-amine

Structural Information

Molecular Formula
C12H8N4O3
SMILES
C1=CC=C(C=C1)NC2=CC=C(C3=NON=C23)[N+](=O)[O-]
InChI
InChI=1S/C12H8N4O3/c17-16(18)10-7-6-9(11-12(10)15-19-14-11)13-8-4-2-1-3-5-8/h1-7,13H
InChIKey
FPCBQKODIUMKDZ-UHFFFAOYSA-N
Compound name
4-nitro-N-phenyl-2,1,3-benzoxadiazol-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

9
Patents

256.05963 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.06691 149.8
[M+Na]+ 279.04885 158.4
[M-H]- 255.05235 156.6
[M+NH4]+ 274.09345 164.0
[M+K]+ 295.02279 151.7
[M+H-H2O]+ 239.05689 145.4
[M+HCOO]- 301.05783 175.4
[M+CH3COO]- 315.07348 189.6
[M+Na-2H]- 277.03430 162.0
[M]+ 256.05908 150.8
[M]- 256.06018 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe