CID 17750431

O-carborane

Structural Information

Molecular Formula
C2H2B10
SMILES
B1=BB=BB=B/C=C\B=BB=B1
InChI
InChI=1S/C2H2B10/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H/b2-1-
InChIKey
GJLPUBMCTFOXHD-UPHRSURJSA-N
Compound name
(11Z)-1,2,3,4,5,6,7,8,9,10-decaboracyclododeca-1,3,5,7,9,11-hexaene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

564
Patents

136.1087 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.11598 117.3
[M+Na]+ 159.09792 132.8
[M+NH4]+ 154.14252 127.1
[M+K]+ 175.07186 124.7
[M-H]- 135.10142 122.0
[M+Na-2H]- 157.08337 130.0
[M]+ 136.10815 120.8
[M]- 136.10925 120.8
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