CID 71464144

(2-chlorofuran-3-yl)boronic acid

Structural Information

Molecular Formula
C4H4BClO3
SMILES
B(C1=C(OC=C1)Cl)(O)O
InChI
InChI=1S/C4H4BClO3/c6-4-3(5(7)8)1-2-9-4/h1-2,7-8H
InChIKey
SLWVJHJJQBAYDD-UHFFFAOYSA-N
Compound name
(2-chlorofuran-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

145.9942 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.001476 122.4
[M+Na]+ 168.983418 132.0
[M-H]- 144.986924 124.6
[M+NH4]+ 164.028023 143.9
[M+K]+ 184.957358 130.3
[M+H-H2O]+ 128.991460 119.2
[M+HCOO]- 190.992401 140.2
[M+CH3COO]- 205.008051 165.4
[M+Na-2H]- 166.968866 128.4
[M]+ 145.99365142 124.3
[M]- 145.99474858 124.3
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