CID 4376764

956229-69-9

Structural Information

Molecular Formula
C17H25BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(=O)OC(C)(C)C
InChI
InChI=1S/C17H25BO4/c1-15(2,3)20-14(19)12-10-8-9-11-13(12)18-21-16(4,5)17(6,7)22-18/h8-11H,1-7H3
InChIKey
LPIQEOUMTWQOOM-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

304.1846 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.19188 166.9
[M+Na]+ 327.17382 177.8
[M+NH4]+ 322.21842 176.4
[M+K]+ 343.14776 172.3
[M-H]- 303.17732 171.2
[M+Na-2H]- 325.15927 173.8
[M]+ 304.18405 170.1
[M]- 304.18515 170.1
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