CID 23005333

5-borono-2-chlorobenzoic acid

Structural Information

Molecular Formula
C7H6BClO4
SMILES
B(C1=CC(=C(C=C1)Cl)C(=O)O)(O)O
InChI
InChI=1S/C7H6BClO4/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,12-13H,(H,10,11)
InChIKey
RHIXAJHFXGTSAL-UHFFFAOYSA-N
Compound name
5-borono-2-chlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

200.00476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.01204 135.8
[M+Na]+ 222.99398 147.4
[M+NH4]+ 218.03858 142.6
[M+K]+ 238.96792 143.8
[M-H]- 198.99748 135.1
[M+Na-2H]- 220.97943 140.2
[M]+ 200.00421 137.3
[M]- 200.00531 137.3
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