CID 5374046

4-nitrobenzaldoxime

Structural Information

Molecular Formula

C₇H₆N₂O₃

SMILES

C1=CC(=CC=C1/C=N/O)[N+](=O)[O-]

InChI

InChI=1S/C7H6N2O3/c10-8-5-6-1-3-7(4-2-6)9(11)12/h1-5,10H/b8-5+

InChIKey

WTLPAVBACRIHHC-VMPITWQZSA-N

Compound name

(NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 435
Patents: 166.03784 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe