CID 71410057

88207-74-3

Structural Information

Molecular Formula
C7H4Cl2O3
SMILES
CC1=C(C(=C(C(=O)C1=O)Cl)O)Cl
InChI
InChI=1S/C7H4Cl2O3/c1-2-3(8)6(11)4(9)7(12)5(2)10/h11H,1H3
InChIKey
HLBRPALKPCGQOU-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-hydroxy-6-methylcyclohexa-3,5-diene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.95375 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.961026 131.5
[M+Na]+ 228.942968 144.5
[M-H]- 204.946474 134.8
[M+NH4]+ 223.987573 152.3
[M+K]+ 244.916908 139.6
[M+H-H2O]+ 188.951010 129.5
[M+HCOO]- 250.951951 145.3
[M+CH3COO]- 264.967601 182.0
[M+Na-2H]- 226.928416 135.1
[M]+ 205.95320142 135.3
[M]- 205.95429858 135.3
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.