CID 71618

Dimethiodal sodium

Structural Information

Molecular Formula
CH2I2O3S
SMILES
C(S(=O)(=O)O)(I)I
InChI
InChI=1S/CH2I2O3S/c2-1(3)7(4,5)6/h1H,(H,4,5,6)
InChIKey
RVIRCOIWERMNCC-UHFFFAOYSA-N
Compound name
diiodomethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5917
Patents

347.7814 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.78868 138.3
[M+Na]+ 370.77062 132.3
[M-H]- 346.77412 127.3
[M+NH4]+ 365.81522 148.5
[M+K]+ 386.74456 143.1
[M+H-H2O]+ 330.77866 128.4
[M+HCOO]- 392.77960 144.6
[M+CH3COO]- 406.79525 190.8
[M+Na-2H]- 368.75607 124.6
[M]+ 347.78085 134.9
[M]- 347.78195 134.9
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

patents stripe