CID 16217445

907626-13-5

Structural Information

Molecular Formula
C19H29BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC=C(C=C2)CCCCC
InChI
InChI=1S/C19H29BO2/c1-6-7-8-9-16-10-12-17(13-11-16)14-15-20-21-18(2,3)19(4,5)22-20/h10-15H,6-9H2,1-5H3/b15-14+
InChIKey
ZNSXCABBRJIRGJ-CCEZHUSRSA-N
Compound name
4,4,5,5-tetramethyl-2-[(E)-2-(4-pentylphenyl)ethenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

300.22607 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.23335 170.5
[M+Na]+ 323.21529 177.8
[M-H]- 299.21879 178.2
[M+NH4]+ 318.25989 189.5
[M+K]+ 339.18923 176.1
[M+H-H2O]+ 283.22333 165.3
[M+HCOO]- 345.22427 189.7
[M+CH3COO]- 359.23992 205.4
[M+Na-2H]- 321.20074 173.5
[M]+ 300.22552 174.8
[M]- 300.22662 174.8
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

patents stripe