CID 18877658

2-chloro-n-(3-iodophenyl)propanamide

Structural Information

Molecular Formula
C9H9ClINO
SMILES
CC(C(=O)NC1=CC(=CC=C1)I)Cl
InChI
InChI=1S/C9H9ClINO/c1-6(10)9(13)12-8-4-2-3-7(11)5-8/h2-6H,1H3,(H,12,13)
InChIKey
YNVPHKCTBAAVRT-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-iodophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.94174 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.94902 151.1
[M+Na]+ 331.93096 151.8
[M-H]- 307.93446 147.7
[M+NH4]+ 326.97556 165.8
[M+K]+ 347.90490 154.2
[M+H-H2O]+ 291.93900 142.4
[M+HCOO]- 353.93994 165.3
[M+CH3COO]- 367.95559 194.3
[M+Na-2H]- 329.91641 143.3
[M]+ 308.94119 149.5
[M]- 308.94229 149.5
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.