CID 162420306

Dtxsid401021366

Structural Information

Molecular Formula
C8H5Cl3N2O3
SMILES
C1(=C(C(=C(C(=C1Cl)C(=O)N)Cl)Cl)O)C(=O)N
InChI
InChI=1S/C8H5Cl3N2O3/c9-3-1(7(12)15)4(10)5(11)6(14)2(3)8(13)16/h14H,(H2,12,15)(H2,13,16)
InChIKey
XERUIVSANADXCP-UHFFFAOYSA-N
Compound name
2,4,5-trichloro-6-hydroxybenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

281.93658 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.94386 152.5
[M+Na]+ 304.92580 163.4
[M-H]- 280.92930 153.7
[M+NH4]+ 299.97040 168.8
[M+K]+ 320.89974 157.7
[M+H-H2O]+ 264.93384 150.7
[M+HCOO]- 326.93478 161.0
[M+CH3COO]- 340.95043 200.7
[M+Na-2H]- 302.91125 151.2
[M]+ 281.93603 153.7
[M]- 281.93713 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.