CID 5466121

Nsc676533

Structural Information

Molecular Formula
C4H2B10O4
SMILES
B12B3B1B4B5B6B2B3B6C7(B5C47C(=O)O)C(=O)O
InChI
InChI=1S/C4H2B10O4/c15-1(16)3-4(2(17)18)5(3)8-6(3)10-13-11-7(4)9(8)12(11)14(10)13/h(H,15,16)(H,17,18)
InChIKey
JUCGEPBLABCWRX-UHFFFAOYSA-N
Compound name
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-2,4-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.08836 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09564 166.6
[M+Na]+ 247.07758 170.7
[M-H]- 223.08108 169.7
[M+NH4]+ 242.12218 166.7
[M+K]+ 263.05152 172.4
[M+H-H2O]+ 207.08562 156.6
[M+HCOO]- 269.08656 167.9
[M+CH3COO]- 283.10221 171.5
[M+Na-2H]- 245.06303 167.4
[M]+ 224.08781 190.0
[M]- 224.08891 190.0
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.