CID 133622811

En300-1706244

Structural Information

Molecular Formula
C18H27BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2OC3CCCCC3
InChI
InChI=1S/C18H27BO3/c1-17(2)18(3,4)22-19(21-17)15-12-8-9-13-16(15)20-14-10-6-5-7-11-14/h8-9,12-14H,5-7,10-11H2,1-4H3
InChIKey
VHPQJSMDNHUWJI-UHFFFAOYSA-N
Compound name
2-(2-cyclohexyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.20532 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.21260 169.9
[M+Na]+ 325.19454 175.6
[M-H]- 301.19804 180.4
[M+NH4]+ 320.23914 188.0
[M+K]+ 341.16848 175.3
[M+H-H2O]+ 285.20258 163.5
[M+HCOO]- 347.20352 186.6
[M+CH3COO]- 361.21917 202.9
[M+Na-2H]- 323.17999 172.4
[M]+ 302.20477 169.3
[M]- 302.20587 169.3
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.