CID 53419004

N-(2,4-difluorophenyl)propane-1-sulfonamide

Structural Information

Molecular Formula
C9H11F2NO2S
SMILES
CCCS(=O)(=O)NC1=C(C=C(C=C1)F)F
InChI
InChI=1S/C9H11F2NO2S/c1-2-5-15(13,14)12-9-4-3-7(10)6-8(9)11/h3-4,6,12H,2,5H2,1H3
InChIKey
YFZDPIXYOILDMJ-UHFFFAOYSA-N
Compound name
N-(2,4-difluorophenyl)propane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

235.04785 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.05513 149.9
[M+Na]+ 258.03707 159.2
[M+NH4]+ 253.08167 156.1
[M+K]+ 274.01101 152.2
[M-H]- 234.04057 148.4
[M+Na-2H]- 256.02252 153.9
[M]+ 235.04730 151.0
[M]- 235.04840 151.0
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