CID 4288

N-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide

Structural Information

Molecular Formula
C14H12F2N2O3S
SMILES
C1=CC(=C(C(=C1)F)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N)F
InChI
InChI=1S/C14H12F2N2O3S/c15-12-2-1-3-13(16)11(12)8-18-14(19)9-4-6-10(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)
InChIKey
ZFNCKGXGCCDDFN-UHFFFAOYSA-N
Compound name
N-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

98
Patents

326.05368 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.06096 168.7
[M+Na]+ 349.04290 176.9
[M-H]- 325.04640 172.7
[M+NH4]+ 344.08750 182.2
[M+K]+ 365.01684 171.4
[M+H-H2O]+ 309.05094 159.2
[M+HCOO]- 371.05188 185.5
[M+CH3COO]- 385.06753 208.5
[M+Na-2H]- 347.02835 170.4
[M]+ 326.05313 167.4
[M]- 326.05423 167.4
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.