CID 2763235

480438-52-6

Structural Information

Molecular Formula
C14H12BNO4S
SMILES
B(C1=CC2=C(C=C1)C=CN2S(=O)(=O)C3=CC=CC=C3)(O)O
InChI
InChI=1S/C14H12BNO4S/c17-15(18)12-7-6-11-8-9-16(14(11)10-12)21(19,20)13-4-2-1-3-5-13/h1-10,17-18H
InChIKey
RVWRLLZYYUIBOX-UHFFFAOYSA-N
Compound name
[1-(benzenesulfonyl)indol-6-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

301.058 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.065276 164.7
[M+Na]+ 324.047218 174.7
[M-H]- 300.050724 169.7
[M+NH4]+ 319.091823 180.5
[M+K]+ 340.021158 169.7
[M+H-H2O]+ 284.055260 158.7
[M+HCOO]- 346.056201 180.2
[M+CH3COO]- 360.071851 193.6
[M+Na-2H]- 322.032666 169.0
[M]+ 301.05745142 168.5
[M]- 301.05854858 168.5
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