CID 3087576

1-diphenylboryloxy-6-hydroxyhexane

Structural Information

Molecular Formula
C18H23BO2
SMILES
B(C1=CC=CC=C1)(C2=CC=CC=C2)OCCCCCCO
InChI
InChI=1S/C18H23BO2/c20-15-9-1-2-10-16-21-19(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,20H,1-2,9-10,15-16H2
InChIKey
XFVIMAWQIDPRAU-UHFFFAOYSA-N
Compound name
6-diphenylboranyloxyhexan-1-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 168.5
[M+Na]+ 305.16832 172.2
[M-H]- 281.17182 172.5
[M+NH4]+ 300.21292 183.0
[M+K]+ 321.14226 167.8
[M+H-H2O]+ 265.17636 160.2
[M+HCOO]- 327.17730 189.2
[M+CH3COO]- 341.19295 198.7
[M+Na-2H]- 303.15377 172.3
[M]+ 282.17855 169.6
[M]- 282.17965 169.6
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.