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

2
Annotation Hits: 0
References: 564
Patents: 136.1087 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	137.11598	110.4
[M+Na]+	159.09792	118.4
[M-H]-	135.10142	112.3
[M+NH4]+	154.14252	129.6
[M+K]+	175.07186	117.8
[M+H-H2O]+	119.10596	108.2
[M+HCOO]-	181.10690	136.7
[M+CH3COO]-	195.12255	125.0
[M+Na-2H]-	157.08337	121.9
[M]+	136.10815	106.8
[M]-	136.10925	106.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe