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

48
Patents

250.0082 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.015476 150.7
[M+Na]+ 272.997418 158.7
[M-H]- 249.000924 153.5
[M+NH4]+ 268.042023 167.0
[M+K]+ 288.971358 153.9
[M+H-H2O]+ 233.005460 144.4
[M+HCOO]- 295.006401 164.2
[M+CH3COO]- 309.022051 190.1
[M+Na-2H]- 270.982866 155.7
[M]+ 250.00765142 151.9
[M]- 250.00874858 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