CID 72941600

Dilongifolylborane

Structural Information

Molecular Formula
C30H50B
SMILES
[B](C[C@H]1[C@H]2CC[C@H]3[C@@H]2C(CCC[C@@]31C)(C)C)C[C@H]4[C@H]5CC[C@H]6[C@@H]5C(CCC[C@@]64C)(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/t19-,20-,21+,22+,23+,24+,25-,26-,29+,30+/m1/s1
InChIKey
WGXMLHBSRHYXEJ-WJXASMHPSA-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 216.3
[M+Na]+ 444.38976 222.7
[M-H]- 420.39326 225.0
[M+NH4]+ 439.43436 239.4
[M+K]+ 460.36370 206.2
[M+H-H2O]+ 404.39780 211.8
[M+HCOO]- 466.39874 222.7
[M+CH3COO]- 480.41439 221.7
[M+Na-2H]- 442.37521 207.0
[M]+ 421.39999 209.3
[M]- 421.40109 209.3
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

patents stripe