CID 99204

Methanesulfonamide, n-2-benzothiazolyl-

Structural Information

Molecular Formula
C8H8N2O2S2
SMILES
CS(=O)(=O)NC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C8H8N2O2S2/c1-14(11,12)10-8-9-6-4-2-3-5-7(6)13-8/h2-5H,1H3,(H,9,10)
InChIKey
IFAFHONNYUQKIJ-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

228.00272 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.01000 145.1
[M+Na]+ 250.99194 156.9
[M-H]- 226.99544 149.3
[M+NH4]+ 246.03654 165.6
[M+K]+ 266.96588 152.2
[M+H-H2O]+ 210.99998 140.0
[M+HCOO]- 273.00092 160.3
[M+CH3COO]- 287.01657 185.5
[M+Na-2H]- 248.97739 150.8
[M]+ 228.00217 150.1
[M]- 228.00327 150.1
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