CID 20207836

4-boronobenzenesulfonic acid

Structural Information

Molecular Formula
C6H7BO5S
SMILES
B(C1=CC=C(C=C1)S(=O)(=O)O)(O)O
InChI
InChI=1S/C6H7BO5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4,8-9H,(H,10,11,12)
InChIKey
LCPDRGMZQSQOCQ-UHFFFAOYSA-N
Compound name
4-boronobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

202.01073 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01801 138.4
[M+Na]+ 224.99995 147.7
[M+NH4]+ 220.04455 144.3
[M+K]+ 240.97389 143.8
[M-H]- 201.00345 136.5
[M+Na-2H]- 222.98540 141.8
[M]+ 202.01018 139.3
[M]- 202.01128 139.3
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