CID 112756

61842-44-2

Structural Information

Molecular Formula
C8H4Cl2O3
SMILES
C1=C(C=C(C=C1C(=O)Cl)O)C(=O)Cl
InChI
InChI=1S/C8H4Cl2O3/c9-7(12)4-1-5(8(10)13)3-6(11)2-4/h1-3,11H
InChIKey
PVOFLWDXEXGWNT-UHFFFAOYSA-N
Compound name
5-hydroxybenzene-1,3-dicarbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

217.95375 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.96103 135.2
[M+Na]+ 240.94297 145.7
[M-H]- 216.94647 137.8
[M+NH4]+ 235.98757 154.6
[M+K]+ 256.91691 141.0
[M+H-H2O]+ 200.95101 132.4
[M+HCOO]- 262.95195 148.3
[M+CH3COO]- 276.96760 182.7
[M+Na-2H]- 238.92842 138.9
[M]+ 217.95320 138.6
[M]- 217.95430 138.6
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

patents stripe