CID 16217424

2,6-difluoro-4-methoxybenzeneboronic acid

Structural Information

Molecular Formula
C7H7BF2O3
SMILES
B(C1=C(C=C(C=C1F)OC)F)(O)O
InChI
InChI=1S/C7H7BF2O3/c1-13-4-2-5(9)7(8(11)12)6(10)3-4/h2-3,11-12H,1H3
InChIKey
WVSZSFADEBGONQ-UHFFFAOYSA-N
Compound name
(2,6-difluoro-4-methoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

251
Patents

188.04562 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.05290 131.9
[M+Na]+ 211.03484 141.4
[M-H]- 187.03834 131.2
[M+NH4]+ 206.07944 150.8
[M+K]+ 227.00878 139.3
[M+H-H2O]+ 171.04288 125.3
[M+HCOO]- 233.04382 151.4
[M+CH3COO]- 247.05947 178.4
[M+Na-2H]- 209.02029 135.4
[M]+ 188.04507 130.2
[M]- 188.04617 130.2
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