CID 4290

N-(2-flouro-benzyl)-4-sulfamoyl-benzamide

Structural Information

Molecular Formula
C14H13FN2O3S
SMILES
C1=CC=C(C(=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N)F
InChI
InChI=1S/C14H13FN2O3S/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(8-6-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
InChIKey
ULYMHSXFSKOHGH-UHFFFAOYSA-N
Compound name
N-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

85
Patents

308.06308 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.07036 166.2
[M+Na]+ 331.05230 173.6
[M-H]- 307.05580 171.3
[M+NH4]+ 326.09690 180.3
[M+K]+ 347.02624 168.5
[M+H-H2O]+ 291.06034 157.6
[M+HCOO]- 353.06128 184.2
[M+CH3COO]- 367.07693 204.6
[M+Na-2H]- 329.03775 169.2
[M]+ 308.06253 165.6
[M]- 308.06363 165.6
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