CID 3322389

N-(4-hydroxy-3-nitrophenyl)acetamide

Structural Information

Molecular Formula
C8H8N2O4
SMILES
CC(=O)NC1=CC(=C(C=C1)O)[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O4/c1-5(11)9-6-2-3-8(12)7(4-6)10(13)14/h2-4,12H,1H3,(H,9,11)
InChIKey
XZYRROIQJHLVRG-UHFFFAOYSA-N
Compound name
N-(4-hydroxy-3-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

196.0484 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05568 136.4
[M+Na]+ 219.03762 143.4
[M-H]- 195.04112 139.3
[M+NH4]+ 214.08222 154.0
[M+K]+ 235.01156 138.0
[M+H-H2O]+ 179.04566 135.2
[M+HCOO]- 241.04660 161.6
[M+CH3COO]- 255.06225 177.0
[M+Na-2H]- 217.02307 143.4
[M]+ 196.04785 134.3
[M]- 196.04895 134.3
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