CID 7332808

2-nitrobenzaldehyde oxime

Structural Information

Molecular Formula
C7H6N2O3
SMILES
C1=CC=C(C(=C1)/C=N/O)[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O3/c10-8-5-6-3-1-2-4-7(6)9(11)12/h1-5,10H/b8-5+
InChIKey
IHMGDCCTWRRUDX-VMPITWQZSA-N
Compound name
(NE)-N-[(2-nitrophenyl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

293
Patents

166.03784 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.045116 129.2
[M+Na]+ 189.027058 136.6
[M-H]- 165.030564 133.3
[M+NH4]+ 184.071663 148.7
[M+K]+ 205.000998 131.3
[M+H-H2O]+ 149.035100 127.9
[M+HCOO]- 211.036041 157.1
[M+CH3COO]- 225.051691 172.7
[M+Na-2H]- 187.012506 138.9
[M]+ 166.03729142 127.5
[M]- 166.03838858 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