CID 1797196

15238-38-7

Structural Information

Molecular Formula
C8H5Cl3INO
SMILES
C1=CC(=CC=C1NC(=O)C(Cl)(Cl)Cl)I
InChI
InChI=1S/C8H5Cl3INO/c9-8(10,11)7(14)13-6-3-1-5(12)2-4-6/h1-4H,(H,13,14)
InChIKey
VIZCGGJGPNRJFW-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-N-(4-iodophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.84814 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.85542 158.4
[M+Na]+ 385.83736 164.4
[M+NH4]+ 380.88196 162.7
[M+K]+ 401.81130 160.4
[M-H]- 361.84086 154.0
[M+Na-2H]- 383.82281 153.3
[M]+ 362.84759 157.8
[M]- 362.84869 157.8
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.