CID 18461726

N1-methylbenzene-1,3-disulfonamide

Structural Information

Molecular Formula
C7H10N2O4S2
SMILES
CNS(=O)(=O)C1=CC=CC(=C1)S(=O)(=O)N
InChI
InChI=1S/C7H10N2O4S2/c1-9-15(12,13)7-4-2-3-6(5-7)14(8,10)11/h2-5,9H,1H3,(H2,8,10,11)
InChIKey
PHSISHRGIRMJQN-UHFFFAOYSA-N
Compound name
3-N-methylbenzene-1,3-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

250.0082 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01548 150.7
[M+Na]+ 272.99742 158.7
[M-H]- 249.00092 153.5
[M+NH4]+ 268.04202 167.0
[M+K]+ 288.97136 153.9
[M+H-H2O]+ 233.00546 144.4
[M+HCOO]- 295.00640 164.2
[M+CH3COO]- 309.02205 190.1
[M+Na-2H]- 270.98287 155.7
[M]+ 250.00765 151.9
[M]- 250.00875 151.9
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