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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.