CID 90376049

1374508-59-4

Structural Information

Molecular Formula
C13H17BFNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)F)C(=O)N
InChI
InChI=1S/C13H17BFNO3/c1-12(2)13(3,4)19-14(18-12)8-5-6-10(15)9(7-8)11(16)17/h5-7H,1-4H3,(H2,16,17)
InChIKey
ZETAUVYXFMYTIN-UHFFFAOYSA-N
Compound name
2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

265.12854 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13582 154.8
[M+Na]+ 288.11776 164.3
[M-H]- 264.12126 162.1
[M+NH4]+ 283.16236 174.6
[M+K]+ 304.09170 164.1
[M+H-H2O]+ 248.12580 149.7
[M+HCOO]- 310.12674 174.5
[M+CH3COO]- 324.14239 199.5
[M+Na-2H]- 286.10321 158.2
[M]+ 265.12799 155.7
[M]- 265.12909 155.7
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