CID 2757248

214360-66-4

Structural Information

Molecular Formula
C16H25BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C16H25BO2/c1-14(2,3)12-8-10-13(11-9-12)17-18-15(4,5)16(6,7)19-17/h8-11H,1-7H3
InChIKey
SAWJXFQIAPLBEA-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

260.19476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.20204 156.0
[M+Na]+ 283.18398 164.8
[M-H]- 259.18748 164.7
[M+NH4]+ 278.22858 177.0
[M+K]+ 299.15792 165.0
[M+H-H2O]+ 243.19202 152.3
[M+HCOO]- 305.19296 174.6
[M+CH3COO]- 319.20861 197.7
[M+Na-2H]- 281.16943 162.0
[M]+ 260.19421 159.7
[M]- 260.19531 159.7
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