CID 15895424

195447-72-4

Structural Information

Molecular Formula
C11H11BrN2O3S
SMILES
CC1=C(ON=C1NS(=O)(=O)C2=CC=CC=C2Br)C
InChI
InChI=1S/C11H11BrN2O3S/c1-7-8(2)17-13-11(7)14-18(15,16)10-6-4-3-5-9(10)12/h3-6H,1-2H3,(H,13,14)
InChIKey
AEHZMTLXZJYRCA-UHFFFAOYSA-N
Compound name
2-bromo-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

329.96738 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.97466 156.9
[M+Na]+ 352.95660 170.8
[M-H]- 328.96010 166.9
[M+NH4]+ 348.00120 174.8
[M+K]+ 368.93054 159.7
[M+H-H2O]+ 312.96464 156.6
[M+HCOO]- 374.96558 174.3
[M+CH3COO]- 388.98123 201.9
[M+Na-2H]- 350.94205 162.8
[M]+ 329.96683 180.3
[M]- 329.96793 180.3
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