CID 214463

3-phenyl-2,1-benzoxazole-5-sulfonamide

Structural Information

Molecular Formula
C13H10N2O3S
SMILES
C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)S(=O)(=O)N
InChI
InChI=1S/C13H10N2O3S/c14-19(16,17)10-6-7-12-11(8-10)13(18-15-12)9-4-2-1-3-5-9/h1-8H,(H2,14,16,17)
InChIKey
PGKNWOSSPKNVCS-UHFFFAOYSA-N
Compound name
3-phenyl-2,1-benzoxazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0412 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04848 157.9
[M+Na]+ 297.03042 169.8
[M-H]- 273.03392 166.1
[M+NH4]+ 292.07502 174.7
[M+K]+ 313.00436 166.0
[M+H-H2O]+ 257.03846 151.5
[M+HCOO]- 319.03940 177.6
[M+CH3COO]- 333.05505 171.6
[M+Na-2H]- 295.01587 164.9
[M]+ 274.04065 162.7
[M]- 274.04175 162.7
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.