CID 16212388

1,7-dicarbadodecaborane(12)

Structural Information

Molecular Formula
C2H2B10
SMILES
[B]1[B][B][B][B]C2[B]C([B]2)[B][B][B]1
InChI
InChI=1S/C2H2B10/c3-1-4-2(3)6-8-10-12-11-9-7-5-1/h1-2H
InChIKey
JTWJUVSLJRLZFF-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

439
Patents

136.1087 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.11598 136.5
[M+Na]+ 159.09792 137.7
[M-H]- 135.10142 125.0
[M+NH4]+ 154.14252 152.6
[M+K]+ 175.07186 141.9
[M+H-H2O]+ 119.10596 134.6
[M+HCOO]- 181.10690 144.0
[M+CH3COO]- 195.12255 144.1
[M+Na-2H]- 157.08337 146.7
[M]+ 136.10815 140.3
[M]- 136.10925 140.3
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

patents stripe