CID 108576

Methanetrisulphonic acid

Structural Information

Molecular Formula
CH4O9S3
SMILES
C(S(=O)(=O)O)(S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/CH4O9S3/c2-11(3,4)1(12(5,6)7)13(8,9)10/h1H,(H,2,3,4)(H,5,6,7)(H,8,9,10)
InChIKey
NARPMWPOFWHFDX-UHFFFAOYSA-N
Compound name
methanetrisulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

255.90175 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.90903 149.4
[M+Na]+ 278.89097 154.9
[M-H]- 254.89447 143.9
[M+NH4]+ 273.93557 162.1
[M+K]+ 294.86491 149.9
[M+H-H2O]+ 238.89901 144.5
[M+HCOO]- 300.89995 150.2
[M+CH3COO]- 314.91560 176.2
[M+Na-2H]- 276.87642 154.5
[M]+ 255.90120 150.5
[M]- 255.90230 150.5
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