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 169.0
[M+Na]+ 305.16832 172.0
[M-H]- 281.17182 173.1
[M+NH4]+ 300.21292 183.3
[M+K]+ 321.14226 168.7
[M+H-H2O]+ 265.17636 161.0
[M+HCOO]- 327.17730 187.6
[M+CH3COO]- 341.19295 200.4
[M+Na-2H]- 303.15377 170.3
[M]+ 282.17855 168.8
[M]- 282.17965 168.8
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.