CID 600438

2,4-thiophenedisulfonamide, 5-methyl-

Structural Information

Molecular Formula
C5H8N2O4S3
SMILES
CC1=C(C=C(S1)S(=O)(=O)N)S(=O)(=O)N
InChI
InChI=1S/C5H8N2O4S3/c1-3-4(13(6,8)9)2-5(12-3)14(7,10)11/h2H,1H3,(H2,6,8,9)(H2,7,10,11)
InChIKey
WGEMYMCGGYWLQB-UHFFFAOYSA-N
Compound name
5-methylthiophene-2,4-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.96461 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.97189 155.2
[M+Na]+ 278.95383 164.1
[M-H]- 254.95733 156.9
[M+NH4]+ 273.99843 172.4
[M+K]+ 294.92777 157.6
[M+H-H2O]+ 238.96187 149.6
[M+HCOO]- 300.96281 162.9
[M+CH3COO]- 314.97846 190.5
[M+Na-2H]- 276.93928 156.6
[M]+ 255.96406 155.1
[M]- 255.96516 155.1
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