CID 3021585

3,5-dichloro-2,6-dihydroxy-4-methylbenzamide

Structural Information

Molecular Formula
C8H7Cl2NO3
SMILES
CC1=C(C(=C(C(=C1Cl)O)C(=O)N)O)Cl
InChI
InChI=1S/C8H7Cl2NO3/c1-2-4(9)6(12)3(8(11)14)7(13)5(2)10/h12-13H,1H3,(H2,11,14)
InChIKey
UOYWGTSHNOHMIQ-UHFFFAOYSA-N
Compound name
3,5-dichloro-2,6-dihydroxy-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.9803 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.98758 142.4
[M+Na]+ 257.96952 154.0
[M-H]- 233.97302 143.9
[M+NH4]+ 253.01412 160.7
[M+K]+ 273.94346 148.6
[M+H-H2O]+ 217.97756 140.1
[M+HCOO]- 279.97850 155.1
[M+CH3COO]- 293.99415 188.4
[M+Na-2H]- 255.95497 143.6
[M]+ 234.97975 144.5
[M]- 234.98085 144.5
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.