CID 53488067

N-(6-iodobenzo[d][1,3]dioxol-5-yl)acetamide

Structural Information

Molecular Formula
C9H8INO3
SMILES
CC(=O)NC1=CC2=C(C=C1I)OCO2
InChI
InChI=1S/C9H8INO3/c1-5(12)11-7-3-9-8(2-6(7)10)13-4-14-9/h2-3H,4H2,1H3,(H,11,12)
InChIKey
KZPRZJSLLKQTSW-UHFFFAOYSA-N
Compound name
N-(6-iodo-1,3-benzodioxol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

304.9549 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.96218 152.4
[M+Na]+ 327.94412 155.8
[M+NH4]+ 322.98872 155.9
[M+K]+ 343.91806 156.1
[M-H]- 303.94762 150.1
[M+Na-2H]- 325.92957 143.0
[M]+ 304.95435 151.0
[M]- 304.95545 151.0
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

patents stripe