CID 61064068

(2-bromo-5-fluorophenyl)methanesulfonamide

Structural Information

Molecular Formula
C7H7BrFNO2S
SMILES
C1=CC(=C(C=C1F)CS(=O)(=O)N)Br
InChI
InChI=1S/C7H7BrFNO2S/c8-7-2-1-6(9)3-5(7)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKey
ZKHTVISCTJPFNU-UHFFFAOYSA-N
Compound name
(2-bromo-5-fluorophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.9365 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.94378 138.0
[M+Na]+ 289.92572 151.2
[M-H]- 265.92922 143.3
[M+NH4]+ 284.97032 158.5
[M+K]+ 305.89966 138.4
[M+H-H2O]+ 249.93376 137.3
[M+HCOO]- 311.93470 154.2
[M+CH3COO]- 325.95035 191.0
[M+Na-2H]- 287.91117 143.7
[M]+ 266.93595 156.6
[M]- 266.93705 156.6
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.