CID 4400707

N-(2-iodo-4-nitrophenyl)acetamide

Structural Information

Molecular Formula
C8H7IN2O3
SMILES
CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])I
InChI
InChI=1S/C8H7IN2O3/c1-5(12)10-8-3-2-6(11(13)14)4-7(8)9/h2-4H,1H3,(H,10,12)
InChIKey
OYRLELIGOKYZFU-UHFFFAOYSA-N
Compound name
N-(2-iodo-4-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

305.95013 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.95741 156.3
[M+Na]+ 328.93935 156.5
[M-H]- 304.94285 153.5
[M+NH4]+ 323.98395 169.6
[M+K]+ 344.91329 156.9
[M+H-H2O]+ 288.94739 150.8
[M+HCOO]- 350.94833 176.9
[M+CH3COO]- 364.96398 189.1
[M+Na-2H]- 326.92480 150.2
[M]+ 305.94958 152.1
[M]- 305.95068 152.1
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