CID 6914573

N'-(5-chlorobenzofuran-2-carbonyl)-2-(trifluoromethyl)benzenesulfonohydrazide

Structural Information

Molecular Formula
C16H10ClF3N2O4S
SMILES
C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)NNC(=O)C2=CC3=C(O2)C=CC(=C3)Cl
InChI
InChI=1S/C16H10ClF3N2O4S/c17-10-5-6-12-9(7-10)8-13(26-12)15(23)21-22-27(24,25)14-4-2-1-3-11(14)16(18,19)20/h1-8,22H,(H,21,23)
InChIKey
ZLQBZYKAQQWOTK-UHFFFAOYSA-N
Compound name
5-chloro-N'-[2-(trifluoromethyl)phenyl]sulfonyl-1-benzofuran-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

418.00018 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.00746 187.8
[M+Na]+ 440.98940 198.6
[M-H]- 416.99290 193.5
[M+NH4]+ 436.03400 200.6
[M+K]+ 456.96334 193.4
[M+H-H2O]+ 400.99744 179.7
[M+HCOO]- 462.99838 199.2
[M+CH3COO]- 477.01403 220.7
[M+Na-2H]- 438.97485 193.0
[M]+ 417.99963 192.4
[M]- 418.00073 192.4
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