CID 12701423

Dilongifolylborane

Structural Information

Molecular Formula
C30H50B
SMILES
[B](CC1C2CCC3C2C(CCCC31C)(C)C)CC4C5CCC6C5C(CCCC64C)(C)C
InChI
InChI=1S/C30H50B/c1-27(2)13-7-15-29(5)21-11-9-19(25(21)27)23(29)17-31-18-24-20-10-12-22-26(20)28(3,4)14-8-16-30(22,24)6/h19-26H,7-18H2,1-6H3
InChIKey
WGXMLHBSRHYXEJ-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

421.40054 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.40782 190.5
[M+Na]+ 444.38976 191.9
[M+NH4]+ 439.43436 201.0
[M+K]+ 460.36370 188.2
[M-H]- 420.39326 191.9
[M+Na-2H]- 442.37521 190.6
[M]+ 421.39999 191.5
[M]- 421.40109 191.5
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.