CID 4060330

2'-hydroxy-2,3',5'-trichloroacetanilide

Structural Information

Molecular Formula
C8H6Cl3NO2
SMILES
C1=C(C=C(C(=C1NC(=O)CCl)O)Cl)Cl
InChI
InChI=1S/C8H6Cl3NO2/c9-3-7(13)12-6-2-4(10)1-5(11)8(6)14/h1-2,14H,3H2,(H,12,13)
InChIKey
WYWYRTNJPLOBPE-UHFFFAOYSA-N
Compound name
2-chloro-N-(3,5-dichloro-2-hydroxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.94641 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.953686 145.9
[M+Na]+ 275.935628 156.2
[M-H]- 251.939134 147.3
[M+NH4]+ 270.980233 163.9
[M+K]+ 291.909568 150.3
[M+H-H2O]+ 235.943670 143.6
[M+HCOO]- 297.944611 155.0
[M+CH3COO]- 311.960261 191.4
[M+Na-2H]- 273.921076 148.9
[M]+ 252.94586142 148.7
[M]- 252.94695858 148.7
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

No patent data available for this compound.