CID 51034464

1189042-70-3

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)8-6-5-7-9(10(8)14)15(16)17/h5-7H,1-4H3
InChIKey
RNRPIYYFOPOLSL-UHFFFAOYSA-N
Compound name
2-(2-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
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

literature stripe

Patent stripe

patents stripe