CID 5466118

Bis(phenylselanyl)[?]

Structural Information

Molecular Formula
C14H10B10Se2
SMILES
B12B3B1B4B5B6B2B3B6C7(B5C47[Se]C8=CC=CC=C8)[Se]C9=CC=CC=C9
InChI
InChI=1S/C14H10B10Se2/c1-3-7-11(8-4-1)25-13-14(26-12-9-5-2-6-10-12)15(13)18-16(13)20-23-21-17(14)19(18)22(21)24(20)23/h1-10H
InChIKey
WWUZCHOTAFJXER-UHFFFAOYSA-N
Compound name
2,4-bis(phenylselanyl)-1,3,5,6,7,8,9,10,11,12-decaboraheptacyclo[5.5.0.02,4.03,6.05,10.08,12.09,11]dodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.00436 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.01164 180.7
[M+Na]+ 470.99358 185.9
[M-H]- 446.99708 188.2
[M+NH4]+ 466.03818 179.5
[M+K]+ 486.96752 187.2
[M+H-H2O]+ 431.00162 167.1
[M+HCOO]- 493.00256 185.4
[M+CH3COO]- 507.01821 185.5
[M+Na-2H]- 468.97903 181.4
[M]+ 448.00381 203.2
[M]- 448.00491 203.2
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

No patent data available for this compound.