CID 131750228

2055397-88-9

Structural Information

Molecular Formula

C₁₇H₁₃FN₄O₃S

SMILES

C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(C=CC(=C2)C3=CN=NC=C3)F

InChI

InChI=1S/C17H13FN4O3S/c18-16-7-6-12(13-8-9-19-20-11-13)10-15(16)17(23)21-22-26(24,25)14-4-2-1-3-5-14/h1-11,22H,(H,21,23)

InChIKey

WYMCVPPNOFFNGE-UHFFFAOYSA-N

Compound name

N'-(benzenesulfonyl)-2-fluoro-5-pyridazin-4-ylbenzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 372.06924 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	373.07652	182.0
[M+Na]+	395.05846	189.4
[M-H]-	371.06196	188.0
[M+NH4]+	390.10306	190.4
[M+K]+	411.03240	183.0
[M+H-H2O]+	355.06650	170.8
[M+HCOO]-	417.06744	198.4
[M+CH3COO]-	431.08309	215.7
[M+Na-2H]-	393.04391	187.8
[M]+	372.06869	181.7
[M]-	372.06979	181.7

Literature stripe

literature stripe

Patent stripe

patents stripe