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

45
Patents

304.1846 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.19188 165.7
[M+Na]+ 327.17382 174.0
[M-H]- 303.17732 174.4
[M+NH4]+ 322.21842 184.7
[M+K]+ 343.14776 175.1
[M+H-H2O]+ 287.18186 162.1
[M+HCOO]- 349.18280 183.6
[M+CH3COO]- 363.19845 204.3
[M+Na-2H]- 325.15927 170.6
[M]+ 304.18405 171.4
[M]- 304.18515 171.4
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