CID 3833297

2-fluoro-5-nitrophenylboronic acid, pinacol ester

Structural Information

Molecular Formula
C12H15BFNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)[N+](=O)[O-])F
InChI
InChI=1S/C12H15BFNO4/c1-11(2)12(3,4)19-13(18-11)9-7-8(15(16)17)5-6-10(9)14/h5-7H,1-4H3
InChIKey
FXEVKZIXXGDLFW-UHFFFAOYSA-N
Compound name
2-(2-fluoro-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

267.10782 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11510 152.4
[M+Na]+ 290.09704 161.5
[M-H]- 266.10054 160.1
[M+NH4]+ 285.14164 171.7
[M+K]+ 306.07098 157.9
[M+H-H2O]+ 250.10508 152.0
[M+HCOO]- 312.10602 173.7
[M+CH3COO]- 326.12167 191.5
[M+Na-2H]- 288.08249 159.9
[M]+ 267.10727 153.3
[M]- 267.10837 153.3
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