CID 16218206

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.