CID 11322441

21205-91-4

Structural Information

Molecular Formula
C16H28B2
SMILES
B1(C2CCCC1CCC2)B3C4CCCC3CCC4
InChI
InChI=1S/C16H28B2/c1-5-13-7-2-8-14(6-1)17(13)18-15-9-3-10-16(18)12-4-11-15/h13-16H,1-12H2
InChIKey
IYDIZBOKVLHCQZ-UHFFFAOYSA-N
Compound name
9-(9-borabicyclo[3.3.1]nonan-9-yl)-9-borabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

891
Patents

242.23772 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.24500 155.7
[M+Na]+ 265.22694 155.4
[M-H]- 241.23044 157.8
[M+NH4]+ 260.27154 175.3
[M+K]+ 281.20088 150.7
[M+H-H2O]+ 225.23498 147.8
[M+HCOO]- 287.23592 163.3
[M+CH3COO]- 301.25157 163.7
[M+Na-2H]- 263.21239 158.0
[M]+ 242.23717 143.2
[M]- 242.23827 143.2
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