CID 20207836

4-(dihydroxyboranyl)benzene-1-sulfonic 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

23
Patents

202.01073 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01801 136.4
[M+Na]+ 224.99995 144.3
[M-H]- 201.00345 136.5
[M+NH4]+ 220.04455 153.7
[M+K]+ 240.97389 141.5
[M+H-H2O]+ 185.00799 131.7
[M+HCOO]- 247.00893 150.7
[M+CH3COO]- 261.02458 172.1
[M+Na-2H]- 222.98540 140.4
[M]+ 202.01018 137.1
[M]- 202.01128 137.1
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