CID 45050575

M-carborane-1,7-dicarboxylic acid

Structural Information

Molecular Formula
C4H2B10O4
SMILES
[B]1[B][B][B][B]C2([B]C([B]2)([B][B][B]1)C(=O)O)C(=O)O
InChI
InChI=1S/C4H2B10O4/c15-1(16)3-5-4(6-3,2(17)18)8-10-12-14-13-11-9-7-3/h(H,15,16)(H,17,18)
InChIKey
NSOPHJXKTXXICF-UHFFFAOYSA-N
Compound name
None
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 173.8
[M+Na]+ 247.07758 174.4
[M-H]- 223.08108 159.3
[M+NH4]+ 242.12218 187.9
[M+K]+ 263.05152 177.6
[M+H-H2O]+ 207.08562 172.4
[M+HCOO]- 269.08656 175.6
[M+CH3COO]- 283.10221 186.5
[M+Na-2H]- 245.06303 180.6
[M]+ 224.08781 178.2
[M]- 224.08891 178.2
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.