CID 50878572

2,3-difluoro-4-propoxyphenylboronic acid (contains varying amounts of anhydride)

Structural Information

Molecular Formula
C9H11BF2O3
SMILES
B(C1=C(C(=C(C=C1)OCCC)F)F)(O)O
InChI
InChI=1S/C9H11BF2O3/c1-2-5-15-7-4-3-6(10(13)14)8(11)9(7)12/h3-4,13-14H,2,5H2,1H3
InChIKey
CWSUICOAENAGCO-UHFFFAOYSA-N
Compound name
(2,3-difluoro-4-propoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

216.07693 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08421 141.4
[M+Na]+ 239.06615 150.0
[M-H]- 215.06965 140.2
[M+NH4]+ 234.11075 159.1
[M+K]+ 255.04009 147.4
[M+H-H2O]+ 199.07419 134.4
[M+HCOO]- 261.07513 160.2
[M+CH3COO]- 275.09078 184.5
[M+Na-2H]- 237.05160 143.7
[M]+ 216.07638 140.4
[M]- 216.07748 140.4
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