CID 44717665

867256-77-7

Structural Information

Molecular Formula
C13H16BFO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(=O)O)F
InChI
InChI=1S/C13H16BFO4/c1-12(2)13(3,4)19-14(18-12)8-5-6-9(11(16)17)10(15)7-8/h5-7H,1-4H3,(H,16,17)
InChIKey
BZWWFDHWZHGLFH-UHFFFAOYSA-N
Compound name
2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

266.11258 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11986 157.4
[M+Na]+ 289.10180 168.2
[M+NH4]+ 284.14640 166.4
[M+K]+ 305.07574 162.6
[M-H]- 265.10530 160.3
[M+Na-2H]- 287.08725 163.2
[M]+ 266.11203 160.0
[M]- 266.11313 160.0
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