CID 208612

32615-70-6

Structural Information

Molecular Formula
C8H9IN2O
SMILES
CNC(=O)C1=C(C=CC(=C1)I)N
InChI
InChI=1S/C8H9IN2O/c1-11-8(12)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3,(H,11,12)
InChIKey
YRFVVYVUPKVCJN-UHFFFAOYSA-N
Compound name
2-amino-5-iodo-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

275.97595 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.983226 149.9
[M+Na]+ 298.965168 150.4
[M-H]- 274.968674 146.6
[M+NH4]+ 294.009773 164.8
[M+K]+ 314.939108 154.2
[M+H-H2O]+ 258.973210 140.1
[M+HCOO]- 320.974151 169.8
[M+CH3COO]- 334.989801 192.3
[M+Na-2H]- 296.950616 142.1
[M]+ 275.97540142 145.1
[M]- 275.97649858 145.1
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