CID 219132

3-nitrobenzaldoxime

Structural Information

Molecular Formula
C7H6N2O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C=NO
InChI
InChI=1S/C7H6N2O3/c10-8-5-6-2-1-3-7(4-6)9(11)12/h1-5,10H
InChIKey
GQMMRLBWXCGBEV-UHFFFAOYSA-N
Compound name
N-[(3-nitrophenyl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

166.03784 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.04512 129.2
[M+Na]+ 189.02706 136.6
[M-H]- 165.03056 133.3
[M+NH4]+ 184.07166 148.7
[M+K]+ 205.00100 131.3
[M+H-H2O]+ 149.03510 127.9
[M+HCOO]- 211.03604 157.1
[M+CH3COO]- 225.05169 172.7
[M+Na-2H]- 187.01251 138.9
[M]+ 166.03729 127.5
[M]- 166.03839 127.5
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