CID 54340135

2,5-dichloro-3,6-dihydroxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

0
References

11
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

literature stripe

Patent stripe

patents stripe