CID 21274476

99847-74-2

Structural Information

Molecular Formula
C9H10BrNO3S
SMILES
CNS(=O)(=O)C1=CC=C(C=C1)C(=O)CBr
InChI
InChI=1S/C9H10BrNO3S/c1-11-15(13,14)8-4-2-7(3-5-8)9(12)6-10/h2-5,11H,6H2,1H3
InChIKey
UCOFLLDXKSXDLH-UHFFFAOYSA-N
Compound name
4-(2-bromoacetyl)-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

290.95648 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.96376 145.1
[M+Na]+ 313.94570 156.4
[M-H]- 289.94920 151.6
[M+NH4]+ 308.99030 164.5
[M+K]+ 329.91964 144.4
[M+H-H2O]+ 273.95374 144.7
[M+HCOO]- 335.95468 161.7
[M+CH3COO]- 349.97033 195.5
[M+Na-2H]- 311.93115 151.2
[M]+ 290.95593 166.1
[M]- 290.95703 166.1
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