CID 2782672

(4-fluoro-2-methoxyphenyl)boronic acid

Structural Information

Molecular Formula
C7H8BFO3
SMILES
B(C1=C(C=C(C=C1)F)OC)(O)O
InChI
InChI=1S/C7H8BFO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4,10-11H,1H3
InChIKey
ADJBXDCXYMCCAD-UHFFFAOYSA-N
Compound name
(4-fluoro-2-methoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1073
Patents

170.05505 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06233 129.9
[M+Na]+ 193.04427 138.5
[M-H]- 169.04777 130.2
[M+NH4]+ 188.08887 149.3
[M+K]+ 209.01821 136.8
[M+H-H2O]+ 153.05231 124.1
[M+HCOO]- 215.05325 150.5
[M+CH3COO]- 229.06890 174.4
[M+Na-2H]- 191.02972 134.6
[M]+ 170.05450 128.9
[M]- 170.05560 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe