CID 482193

N-(2,3-dichlorophenyl)-2,4,6-trihydroxy-3-nitro-benzamide

Structural Information

Molecular Formula
C13H8Cl2N2O6
SMILES
C1=CC(=C(C(=C1)Cl)Cl)NC(=O)C2=C(C(=C(C=C2O)O)[N+](=O)[O-])O
InChI
InChI=1S/C13H8Cl2N2O6/c14-5-2-1-3-6(10(5)15)16-13(21)9-7(18)4-8(19)11(12(9)20)17(22)23/h1-4,18-20H,(H,16,21)
InChIKey
YEUFEPODESMNTE-UHFFFAOYSA-N
Compound name
N-(2,3-dichlorophenyl)-2,4,6-trihydroxy-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.97595 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.98323 170.4
[M+Na]+ 380.96517 178.6
[M-H]- 356.96867 173.6
[M+NH4]+ 376.00977 181.6
[M+K]+ 396.93911 169.4
[M+H-H2O]+ 340.97321 170.5
[M+HCOO]- 402.97415 183.0
[M+CH3COO]- 416.98980 201.1
[M+Na-2H]- 378.95062 173.2
[M]+ 357.97540 172.1
[M]- 357.97650 172.1
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.