CID 446239

4-(aminosulfonyl)-n-[(2,5-difluorophenyl)methyl]-benzamide

Structural Information

Molecular Formula
C14H12F2N2O3S
SMILES
C1=CC(=CC=C1C(=O)NCC2=C(C=CC(=C2)F)F)S(=O)(=O)N
InChI
InChI=1S/C14H12F2N2O3S/c15-11-3-6-13(16)10(7-11)8-18-14(19)9-1-4-12(5-2-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)
InChIKey
KEGUALXMKQVDIO-UHFFFAOYSA-N
Compound name
N-[(2,5-difluorophenyl)methyl]-4-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

89
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

literature stripe

Patent stripe

patents stripe