CID 3087577

2-diphenylboryloxy-5-hydroxyhexane

Structural Information

Molecular Formula
C18H23BO2
SMILES
B(C1=CC=CC=C1)(C2=CC=CC=C2)OC(C)CCC(C)O
InChI
InChI=1S/C18H23BO2/c1-15(20)13-14-16(2)21-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16,20H,13-14H2,1-2H3
InChIKey
JNGGDLCNNDFLOW-UHFFFAOYSA-N
Compound name
5-diphenylboranyloxyhexan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1791 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18638 169.1
[M+Na]+ 305.16832 181.6
[M+NH4]+ 300.21292 177.2
[M+K]+ 321.14226 174.5
[M-H]- 281.17182 173.0
[M+Na-2H]- 303.15377 177.1
[M]+ 282.17855 172.0
[M]- 282.17965 172.0
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

No patent data available for this compound.