CID 47195

64058-91-9

Structural Information

Molecular Formula

C₉H₁₆I₂N₂O₂

SMILES

C(CCNC(=O)CI)CCNC(=O)CI

InChI

InChI=1S/C9H16I2N2O2/c10-6-8(14)12-4-2-1-3-5-13-9(15)7-11/h1-7H2,(H,12,14)(H,13,15)

InChIKey

XKKQXRACUULROS-UHFFFAOYSA-N

Compound name

2-iodo-N-[5-[(2-iodoacetyl)amino]pentyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 437.9301 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	438.93738	173.5
[M+Na]+	460.91932	163.5
[M-H]-	436.92282	162.3
[M+NH4]+	455.96392	180.4
[M+K]+	476.89326	173.9
[M+H-H2O]+	420.92736	161.2
[M+HCOO]-	482.92830	184.7
[M+CH3COO]-	496.94395	214.2
[M+Na-2H]-	458.90477	157.3
[M]+	437.92955	169.4
[M]-	437.93065	169.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe