CID 54235788

Schembl11705279

Structural Information

Molecular Formula
C7H4Cl2O3
SMILES
C1=C(C=C(C(=C1O)OC=O)Cl)Cl
InChI
InChI=1S/C7H4Cl2O3/c8-4-1-5(9)7(12-3-10)6(11)2-4/h1-3,11H
InChIKey
QMMDVTQMKBNDOF-UHFFFAOYSA-N
Compound name
(2,4-dichloro-6-hydroxyphenyl) formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.95375 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.961026 132.3
[M+Na]+ 228.942968 144.2
[M-H]- 204.946474 135.1
[M+NH4]+ 223.987573 152.6
[M+K]+ 244.916908 139.5
[M+H-H2O]+ 188.951010 129.5
[M+HCOO]- 250.951951 147.3
[M+CH3COO]- 264.967601 180.0
[M+Na-2H]- 226.928416 138.0
[M]+ 205.95320142 137.4
[M]- 205.95429858 137.4
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.