CID 799031

515-47-9

Structural Information

Molecular Formula
C9H12FNO2S
SMILES
CC(C)NS(=O)(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C9H12FNO2S/c1-7(2)11-14(12,13)9-5-3-8(10)4-6-9/h3-7,11H,1-2H3
InChIKey
VCQVCWMGKZCDLZ-UHFFFAOYSA-N
Compound name
4-fluoro-N-propan-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

217.05728 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.06456 142.7
[M+Na]+ 240.04650 150.7
[M-H]- 216.05000 145.4
[M+NH4]+ 235.09110 161.5
[M+K]+ 256.02044 147.8
[M+H-H2O]+ 200.05454 136.0
[M+HCOO]- 262.05548 160.0
[M+CH3COO]- 276.07113 187.4
[M+Na-2H]- 238.03195 146.2
[M]+ 217.05673 143.5
[M]- 217.05783 143.5
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