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]+ 219.05296 141.3
[M+Na]+ 241.03490 152.9
[M-H]- 217.03840 146.6
[M+NH4]+ 236.07950 160.9
[M+K]+ 257.00884 151.1
[M+H-H2O]+ 201.04294 135.9
[M+HCOO]- 263.04388 161.6
[M+CH3COO]- 277.05953 183.1
[M+Na-2H]- 239.02035 149.9
[M]+ 218.04513 147.4
[M]- 218.04623 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.