CID 135499457

Nsc661462

Structural Information

Molecular Formula
C6H6N4O4
SMILES
C1C/C(=N/O)/C2=NON=C2C1[N+](=O)[O-]
InChI
InChI=1S/C6H6N4O4/c11-7-3-1-2-4(10(12)13)6-5(3)8-14-9-6/h4,11H,1-2H2/b7-3-
InChIKey
APOWPKHRVVKAEE-CLTKARDFSA-N
Compound name
(NZ)-N-(7-nitro-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.03891 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.04619 134.2
[M+Na]+ 221.02813 141.7
[M-H]- 197.03163 137.2
[M+NH4]+ 216.07273 151.0
[M+K]+ 237.00207 137.5
[M+H-H2O]+ 181.03617 131.7
[M+HCOO]- 243.03711 156.7
[M+CH3COO]- 257.05276 176.9
[M+Na-2H]- 219.01358 144.7
[M]+ 198.03836 132.0
[M]- 198.03946 132.0
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.