CID 24270660

3-amino-4-fluoro-n,n-dimethylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C8H11FN2O2S
SMILES
CN(C)S(=O)(=O)C1=CC(=C(C=C1)F)N
InChI
InChI=1S/C8H11FN2O2S/c1-11(2)14(12,13)6-3-4-7(9)8(10)5-6/h3-5H,10H2,1-2H3
InChIKey
GOWSLAFSAAHMOT-UHFFFAOYSA-N
Compound name
3-amino-4-fluoro-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

218.05252 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.059796 142.0
[M+Na]+ 241.041738 150.8
[M-H]- 217.045244 146.0
[M+NH4]+ 236.086343 161.1
[M+K]+ 257.015678 148.6
[M+H-H2O]+ 201.049780 135.0
[M+HCOO]- 263.050721 161.4
[M+CH3COO]- 277.066371 192.5
[M+Na-2H]- 239.027186 145.3
[M]+ 218.05197142 142.9
[M]- 218.05306858 142.9
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