CID 170896716

1435934-68-1

Structural Information

Molecular Formula
C8H8N2O3S
SMILES
CS(=O)(=O)NC1=NO[13C]2=[13CH][13CH]=[13CH][13CH]=[13C]12
InChI
InChI=1S/C8H8N2O3S/c1-14(11,12)10-8-6-4-2-3-5-7(6)13-9-8/h2-5H,1H3,(H,9,10)/i2+1,3+1,4+1,5+1,6+1,7+1
InChIKey
ARBYXSSFINKXEQ-WBJZHHNVSA-N
Compound name
N-(1,2-benzoxazol-3-yl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.04568 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.052956 141.3
[M+Na]+ 241.034898 152.9
[M-H]- 217.038404 146.6
[M+NH4]+ 236.079503 160.9
[M+K]+ 257.008838 151.1
[M+H-H2O]+ 201.042940 135.9
[M+HCOO]- 263.043881 161.6
[M+CH3COO]- 277.059531 183.1
[M+Na-2H]- 239.020346 149.9
[M]+ 218.04513142 147.4
[M]- 218.04622858 147.4
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

No patent data available for this compound.