CID 445770

N-(2,3,4,5,6-pentaflouro-benzyl)-4-sulfamoyl-benzamide

Structural Information

Molecular Formula
C14H9F5N2O3S
SMILES
C1=CC(=CC=C1C(=O)NCC2=C(C(=C(C(=C2F)F)F)F)F)S(=O)(=O)N
InChI
InChI=1S/C14H9F5N2O3S/c15-9-8(10(16)12(18)13(19)11(9)17)5-21-14(22)6-1-3-7(4-2-6)25(20,23)24/h1-4H,5H2,(H,21,22)(H2,20,23,24)
InChIKey
LRKSHOLYETXPGY-UHFFFAOYSA-N
Compound name
N-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

88
Patents

380.0254 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.03268 176.4
[M+Na]+ 403.01462 187.0
[M-H]- 379.01812 177.1
[M+NH4]+ 398.05922 188.1
[M+K]+ 418.98856 180.4
[M+H-H2O]+ 363.02266 164.5
[M+HCOO]- 425.02360 189.6
[M+CH3COO]- 439.03925 220.7
[M+Na-2H]- 401.00007 174.4
[M]+ 380.02485 172.8
[M]- 380.02595 172.8
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