CID 3533602

214147-22-5

Structural Information

Molecular Formula
C7H7N5O3
SMILES
CN(C1=CC=C(C2=NON=C12)[N+](=O)[O-])N
InChI
InChI=1S/C7H7N5O3/c1-11(8)4-2-3-5(12(13)14)7-6(4)9-15-10-7/h2-3H,8H2,1H3
InChIKey
GVUXVETWVIWDEV-UHFFFAOYSA-N
Compound name
1-methyl-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

85
Patents

209.05489 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.062166 136.6
[M+Na]+ 232.044108 145.6
[M-H]- 208.047614 141.5
[M+NH4]+ 227.088713 153.4
[M+K]+ 248.018048 141.7
[M+H-H2O]+ 192.052150 133.3
[M+HCOO]- 254.053091 163.5
[M+CH3COO]- 268.068741 186.0
[M+Na-2H]- 230.029556 148.1
[M]+ 209.05434142 137.9
[M]- 209.05543858 137.9
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