CID 16218039

4-butoxy-2,3,5,6-tetrafluorophenylboronic acid

Structural Information

Molecular Formula
C10H11BF4O3
SMILES
B(C1=C(C(=C(C(=C1F)F)OCCCC)F)F)(O)O
InChI
InChI=1S/C10H11BF4O3/c1-2-3-4-18-10-8(14)6(12)5(11(16)17)7(13)9(10)15/h16-17H,2-4H2,1H3
InChIKey
DXYUAQQPCWNJQX-UHFFFAOYSA-N
Compound name
(4-butoxy-2,3,5,6-tetrafluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

266.07373 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08101 150.5
[M+Na]+ 289.06295 160.6
[M-H]- 265.06645 147.1
[M+NH4]+ 284.10755 166.6
[M+K]+ 305.03689 157.0
[M+H-H2O]+ 249.07099 141.8
[M+HCOO]- 311.07193 166.7
[M+CH3COO]- 325.08758 195.6
[M+Na-2H]- 287.04840 149.7
[M]+ 266.07318 148.2
[M]- 266.07428 148.2
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