CID 31346

Methiodal

Structural Information

Molecular Formula
CH3IO3S
SMILES
C(S(=O)(=O)O)I
InChI
InChI=1S/CH3IO3S/c2-1-6(3,4)5/h1H2,(H,3,4,5)
InChIKey
RDFJFVXMRYVOAC-UHFFFAOYSA-N
Compound name
iodomethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

77
References

625
Patents

221.88477 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.89205 130.3
[M+Na]+ 244.87399 132.4
[M-H]- 220.87749 123.5
[M+NH4]+ 239.91859 147.6
[M+K]+ 260.84793 137.2
[M+H-H2O]+ 204.88203 122.9
[M+HCOO]- 266.88297 143.1
[M+CH3COO]- 280.89862 170.4
[M+Na-2H]- 242.85944 123.3
[M]+ 221.88422 129.6
[M]- 221.88532 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe