CID 3056313

73688-86-5

Structural Information

Molecular Formula
C13H7BCl2O4
SMILES
B1(OC2=CC(=C(C=C2O1)Cl)Cl)C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C13H7BCl2O4/c15-9-5-11-12(6-10(9)16)20-14(19-11)8-3-1-7(2-4-8)13(17)18/h1-6H,(H,17,18)
InChIKey
SYHNTCQAYDALOC-UHFFFAOYSA-N
Compound name
4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.98145 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.98873 162.6
[M+Na]+ 330.97067 173.9
[M-H]- 306.97417 170.5
[M+NH4]+ 326.01527 178.7
[M+K]+ 346.94461 170.3
[M+H-H2O]+ 290.97871 158.3
[M+HCOO]- 352.97965 173.1
[M+CH3COO]- 366.99530 175.4
[M+Na-2H]- 328.95612 166.1
[M]+ 307.98090 168.8
[M]- 307.98200 168.8
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.