CID 79016314

2-(2-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H25BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(C)(C)C
InChI
InChI=1S/C16H25BO2/c1-14(2,3)12-10-8-9-11-13(12)17-18-15(4,5)16(6,7)19-17/h8-11H,1-7H3
InChIKey
ZMZSXNVRQCYISN-UHFFFAOYSA-N
Compound name
2-(2-tert-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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

No literature data available for this compound.

Patent stripe

patents stripe