CID 53438464

Chroman-8-boronic acid

Structural Information

Molecular Formula
C9H11BO3
SMILES
B(C1=C2C(=CC=C1)CCCO2)(O)O
InChI
InChI=1S/C9H11BO3/c11-10(12)8-5-1-3-7-4-2-6-13-9(7)8/h1,3,5,11-12H,2,4,6H2
InChIKey
LUKDZQONQZOKEA-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-chromen-8-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

178.08012 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08740 134.9
[M+Na]+ 201.06934 146.8
[M+NH4]+ 196.11394 143.6
[M+K]+ 217.04328 141.9
[M-H]- 177.07284 137.8
[M+Na-2H]- 199.05479 139.7
[M]+ 178.07957 137.3
[M]- 178.08067 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

patents stripe