CID 15185458

1,2-octanedisulfonic acid

Structural Information

Molecular Formula
C8H18O6S2
SMILES
CCCCCCC(CS(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C8H18O6S2/c1-2-3-4-5-6-8(16(12,13)14)7-15(9,10)11/h8H,2-7H2,1H3,(H,9,10,11)(H,12,13,14)
InChIKey
QZQALQWPHXLKSP-UHFFFAOYSA-N
Compound name
octane-1,2-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

104
Patents

274.05447 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06175 158.9
[M+Na]+ 297.04369 163.9
[M-H]- 273.04719 155.3
[M+NH4]+ 292.08829 173.4
[M+K]+ 313.01763 160.0
[M+H-H2O]+ 257.05173 153.6
[M+HCOO]- 319.05267 165.6
[M+CH3COO]- 333.06832 187.1
[M+Na-2H]- 295.02914 159.9
[M]+ 274.05392 163.5
[M]- 274.05502 163.5
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.