CID 258346

2'-nitroformanilide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

166.03784 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.04512 129.0
[M+Na]+ 189.02706 136.3
[M-H]- 165.03056 133.1
[M+NH4]+ 184.07166 148.4
[M+K]+ 205.00100 131.0
[M+H-H2O]+ 149.03510 127.6
[M+HCOO]- 211.03604 156.8
[M+CH3COO]- 225.05169 173.4
[M+Na-2H]- 187.01251 138.7
[M]+ 166.03729 127.4
[M]- 166.03839 127.4
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