CID 446240

4-(aminosulfonyl)-n-[(2,3,4-trifluorophenyl)methyl]-benzamide

Structural Information

Molecular Formula
C14H11F3N2O3S
SMILES
C1=CC(=CC=C1C(=O)NCC2=C(C(=C(C=C2)F)F)F)S(=O)(=O)N
InChI
InChI=1S/C14H11F3N2O3S/c15-11-6-3-9(12(16)13(11)17)7-19-14(20)8-1-4-10(5-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)
InChIKey
AANTYZRUJFNZFI-UHFFFAOYSA-N
Compound name
4-sulfamoyl-N-[(2,3,4-trifluorophenyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

83
Patents

344.04425 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.05153 171.2
[M+Na]+ 367.03347 180.2
[M-H]- 343.03697 174.1
[M+NH4]+ 362.07807 184.1
[M+K]+ 383.00741 174.4
[M+H-H2O]+ 327.04151 160.9
[M+HCOO]- 389.04245 186.8
[M+CH3COO]- 403.05810 212.6
[M+Na-2H]- 365.01892 171.7
[M]+ 344.04370 169.1
[M]- 344.04480 169.1
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