CID 165997535

En300-27121755

Structural Information

Molecular Formula
C17H25BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C3CCCC3
InChI
InChI=1S/C17H25BO2/c1-16(2)17(3,4)20-18(19-16)15-12-8-7-11-14(15)13-9-5-6-10-13/h7-8,11-13H,5-6,9-10H2,1-4H3
InChIKey
BYMXYQAUMYRYHK-UHFFFAOYSA-N
Compound name
2-(2-cyclopentylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.19476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.20204 161.1
[M+Na]+ 295.18398 168.2
[M-H]- 271.18748 172.3
[M+NH4]+ 290.22858 182.5
[M+K]+ 311.15792 167.3
[M+H-H2O]+ 255.19202 156.5
[M+HCOO]- 317.19296 180.2
[M+CH3COO]- 331.20861 174.2
[M+Na-2H]- 293.16943 162.7
[M]+ 272.19421 161.0
[M]- 272.19531 161.0
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

No patent data available for this compound.