CID 87140

O-(2,4-dinitrophenyl)hydroxylamine

Structural Information

Molecular Formula
C6H5N3O5
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])ON
InChI
InChI=1S/C6H5N3O5/c7-14-6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H,7H2
InChIKey
YLACRFYIUQZNIV-UHFFFAOYSA-N
Compound name
O-(2,4-dinitrophenyl)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1697
Patents

199.02292 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03020 135.8
[M+Na]+ 222.01214 142.2
[M-H]- 198.01564 139.4
[M+NH4]+ 217.05674 152.1
[M+K]+ 237.98608 133.5
[M+H-H2O]+ 182.02018 138.4
[M+HCOO]- 244.02112 163.0
[M+CH3COO]- 258.03677 174.5
[M+Na-2H]- 219.99759 145.3
[M]+ 199.02237 132.3
[M]- 199.02347 132.3
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