CID 29848

19889-60-2

Structural Information

Molecular Formula
C8H5Cl3INO
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)CI
InChI
InChI=1S/C8H5Cl3INO/c9-4-1-6(11)7(2-5(4)10)13-8(14)3-12/h1-2H,3H2,(H,13,14)
InChIKey
WAPYQUGYVRUXTH-UHFFFAOYSA-N
Compound name
2-iodo-N-(2,4,5-trichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.84814 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.85542 152.8
[M+Na]+ 385.83736 156.3
[M-H]- 361.84086 148.6
[M+NH4]+ 380.88196 166.6
[M+K]+ 401.81130 156.2
[M+H-H2O]+ 345.84540 146.3
[M+HCOO]- 407.84634 158.6
[M+CH3COO]- 421.86199 202.1
[M+Na-2H]- 383.82281 144.6
[M]+ 362.84759 153.4
[M]- 362.84869 153.4
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.