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

94
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 144.5
[M+Na]+ 258.03707 153.7
[M-H]- 234.04057 146.0
[M+NH4]+ 253.08167 162.8
[M+K]+ 274.01101 149.8
[M+H-H2O]+ 218.04511 136.9
[M+HCOO]- 280.04605 161.7
[M+CH3COO]- 294.06170 190.5
[M+Na-2H]- 256.02252 148.0
[M]+ 235.04730 145.1
[M]- 235.04840 145.1
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