CID 88820

21205-24-3

Structural Information

Molecular Formula
C8H8N2O3
SMILES
C1=CC=C(C=C1)C(=NO)C[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O3/c11-9-8(6-10(12)13)7-4-2-1-3-5-7/h1-5,11H,6H2
InChIKey
VZXWHAIIKCIOBN-UHFFFAOYSA-N
Compound name
N-(2-nitro-1-phenylethylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

180.0535 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.060776 134.5
[M+Na]+ 203.042718 140.2
[M-H]- 179.046224 138.1
[M+NH4]+ 198.087323 152.9
[M+K]+ 219.016658 135.1
[M+H-H2O]+ 163.050760 132.8
[M+HCOO]- 225.051701 161.0
[M+CH3COO]- 239.067351 175.4
[M+Na-2H]- 201.028166 143.1
[M]+ 180.05295142 132.1
[M]- 180.05404858 132.1
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