CID 145915523

2-[2-(butan-2-yl)phenyl]-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)CC
InChI
InChI=1S/C16H25BO2/c1-7-12(2)13-10-8-9-11-14(13)17-18-15(3,4)16(5,6)19-17/h8-12H,7H2,1-6H3
InChIKey
CYAYKTOSJWSNQY-UHFFFAOYSA-N
Compound name
2-(2-butan-2-ylphenyl)-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 157.9
[M+Na]+ 283.18398 165.9
[M-H]- 259.18748 166.3
[M+NH4]+ 278.22858 178.5
[M+K]+ 299.15792 166.0
[M+H-H2O]+ 243.19202 153.5
[M+HCOO]- 305.19296 177.0
[M+CH3COO]- 319.20861 198.8
[M+Na-2H]- 281.16943 161.4
[M]+ 260.19421 161.4
[M]- 260.19531 161.4
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