CID 29534

P-acetanisidide, 2-iodo-

Structural Information

Molecular Formula
C9H10INO2
SMILES
COC1=CC=C(C=C1)NC(=O)CI
InChI
InChI=1S/C9H10INO2/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
InChIKey
HBDHZJFUSFWUEF-UHFFFAOYSA-N
Compound name
2-iodo-N-(4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.97562 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.982896 151.4
[M+Na]+ 313.964838 151.5
[M-H]- 289.968344 148.1
[M+NH4]+ 309.009443 166.0
[M+K]+ 329.938778 155.9
[M+H-H2O]+ 273.972880 141.5
[M+HCOO]- 335.973821 171.0
[M+CH3COO]- 349.989471 191.9
[M+Na-2H]- 311.950286 144.8
[M]+ 290.97507142 149.7
[M]- 290.97616858 149.7
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