CID 62104987

1247695-27-7

Structural Information

Molecular Formula
C9H12BrNO3S
SMILES
CC(C)OC1=C(C=C(C=C1)Br)S(=O)(=O)N
InChI
InChI=1S/C9H12BrNO3S/c1-6(2)14-8-4-3-7(10)5-9(8)15(11,12)13/h3-6H,1-2H3,(H2,11,12,13)
InChIKey
YXKLZXHIJQUVIN-UHFFFAOYSA-N
Compound name
5-bromo-2-propan-2-yloxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

292.97214 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.97942 146.5
[M+Na]+ 315.96136 158.3
[M-H]- 291.96486 152.7
[M+NH4]+ 311.00596 165.8
[M+K]+ 331.93530 146.5
[M+H-H2O]+ 275.96940 146.1
[M+HCOO]- 337.97034 162.2
[M+CH3COO]- 351.98599 196.9
[M+Na-2H]- 313.94681 151.0
[M]+ 292.97159 167.5
[M]- 292.97269 167.5
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