CID 3042133

3,5-dichloro-2,4-dihydroxybenzoic acid

Structural Information

Molecular Formula
C7H4Cl2O4
SMILES
C1=C(C(=C(C(=C1Cl)O)Cl)O)C(=O)O
InChI
InChI=1S/C7H4Cl2O4/c8-3-1-2(7(12)13)5(10)4(9)6(3)11/h1,10-11H,(H,12,13)
InChIKey
FCOWQHCAVUUGCS-UHFFFAOYSA-N
Compound name
3,5-dichloro-2,4-dihydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

221.94867 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.955946 134.3
[M+Na]+ 244.937888 145.8
[M-H]- 220.941394 134.9
[M+NH4]+ 239.982493 152.7
[M+K]+ 260.911828 140.7
[M+H-H2O]+ 204.945930 132.4
[M+HCOO]- 266.946871 145.7
[M+CH3COO]- 280.962521 179.5
[M+Na-2H]- 242.923336 137.3
[M]+ 221.94812142 137.0
[M]- 221.94921858 137.0
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