CID 32025

2',4'-dinitro-2-iodoacetanilide

Structural Information

Molecular Formula
C8H6IN3O5
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(=O)CI
InChI
InChI=1S/C8H6IN3O5/c9-4-8(13)10-6-2-1-5(11(14)15)3-7(6)12(16)17/h1-3H,4H2,(H,10,13)
InChIKey
GKXMFAZWFRGLAX-UHFFFAOYSA-N
Compound name
N-(2,4-dinitrophenyl)-2-iodoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.9352 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.94248 172.2
[M+Na]+ 373.92442 170.7
[M-H]- 349.92792 169.2
[M+NH4]+ 368.96902 182.1
[M+K]+ 389.89836 167.2
[M+H-H2O]+ 333.93246 170.0
[M+HCOO]- 395.93340 192.6
[M+CH3COO]- 409.94905 191.1
[M+Na-2H]- 371.90987 167.0
[M]+ 350.93465 166.2
[M]- 350.93575 166.2
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.