CID 192163

Phytex

Structural Information

Molecular Formula
C7H5BO6
SMILES
B1(OC2=CC(=CC(=C2O1)O)C(=O)O)O
InChI
InChI=1S/C7H5BO6/c9-4-1-3(7(10)11)2-5-6(4)14-8(12)13-5/h1-2,9,12H,(H,10,11)
InChIKey
UXUWCOMXIABBJS-UHFFFAOYSA-N
Compound name
2,4-dihydroxy-1,3,2-benzodioxaborole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

5
Patents

196.01791 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.02519 132.7
[M+Na]+ 219.00713 142.0
[M-H]- 195.01063 135.6
[M+NH4]+ 214.05173 150.5
[M+K]+ 234.98107 142.4
[M+H-H2O]+ 179.01517 128.7
[M+HCOO]- 241.01611 150.8
[M+CH3COO]- 255.03176 174.8
[M+Na-2H]- 216.99258 139.0
[M]+ 196.01736 134.7
[M]- 196.01846 134.7
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