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]+ 253.95369 145.9
[M+Na]+ 275.93563 156.2
[M-H]- 251.93913 147.3
[M+NH4]+ 270.98023 163.9
[M+K]+ 291.90957 150.3
[M+H-H2O]+ 235.94367 143.6
[M+HCOO]- 297.94461 155.0
[M+CH3COO]- 311.96026 191.4
[M+Na-2H]- 273.92108 148.9
[M]+ 252.94586 148.7
[M]- 252.94696 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.