CID 137795779

1036738-32-5

Structural Information

Molecular Formula
C6H7BFNO4S
SMILES
B(C1=CC(=C(C=C1)F)S(=O)(=O)N)(O)O
InChI
InChI=1S/C6H7BFNO4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3,10-11H,(H2,9,12,13)
InChIKey
HFVGRNYJQJLYAA-UHFFFAOYSA-N
Compound name
(4-fluoro-3-sulfamoylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.01729 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.02457 138.8
[M+Na]+ 242.00651 147.2
[M-H]- 218.01001 138.6
[M+NH4]+ 237.05111 155.8
[M+K]+ 257.98045 143.8
[M+H-H2O]+ 202.01455 132.8
[M+HCOO]- 264.01549 153.5
[M+CH3COO]- 278.03114 180.8
[M+Na-2H]- 239.99196 141.3
[M]+ 219.01674 137.3
[M]- 219.01784 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

No patent data available for this compound.