CID 79854

5791-18-4

Structural Information

Molecular Formula
C7H5ClN2O4S
SMILES
C1=C2C(=CC(=C1Cl)S(=O)(=O)N)OC(=O)N2
InChI
InChI=1S/C7H5ClN2O4S/c8-3-1-4-5(14-7(11)10-4)2-6(3)15(9,12)13/h1-2H,(H,10,11)(H2,9,12,13)
InChIKey
WWLSMOPMWRIXJL-UHFFFAOYSA-N
Compound name
5-chloro-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.96585 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.973126 146.0
[M+Na]+ 270.955068 159.7
[M-H]- 246.958574 150.2
[M+NH4]+ 265.999673 164.4
[M+K]+ 286.929008 155.3
[M+H-H2O]+ 230.963110 142.3
[M+HCOO]- 292.964051 160.1
[M+CH3COO]- 306.979701 184.6
[M+Na-2H]- 268.940516 152.1
[M]+ 247.96530142 152.2
[M]- 247.96639858 152.2
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.