CID 28672

17641-14-4

Structural Information

Molecular Formula
C10H12INO2
SMILES
CCOC1=CC=CC(=C1)NC(=O)CI
InChI
InChI=1S/C10H12INO2/c1-2-14-9-5-3-4-8(6-9)12-10(13)7-11/h3-6H,2,7H2,1H3,(H,12,13)
InChIKey
CBJNNMBPADWFDD-UHFFFAOYSA-N
Compound name
N-(3-ethoxyphenyl)-2-iodoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.99127 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.99855 156.4
[M+Na]+ 327.98049 155.9
[M-H]- 303.98399 152.8
[M+NH4]+ 323.02509 170.4
[M+K]+ 343.95443 160.1
[M+H-H2O]+ 287.98853 146.2
[M+HCOO]- 349.98947 175.5
[M+CH3COO]- 364.00512 194.7
[M+Na-2H]- 325.96594 149.1
[M]+ 304.99072 154.9
[M]- 304.99182 154.9
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.