CID 133080719

3-fluoro-n'-(2-fluorobenzenesulfonyl)-5-(pyridin-2-yl)benzohydrazide

Structural Information

Molecular Formula
C18H13F2N3O3S
SMILES
C1=CC=C(C(=C1)F)S(=O)(=O)NNC(=O)C2=CC(=CC(=C2)C3=CC=CC=N3)F
InChI
InChI=1S/C18H13F2N3O3S/c19-14-10-12(16-6-3-4-8-21-16)9-13(11-14)18(24)22-23-27(25,26)17-7-2-1-5-15(17)20/h1-11,23H,(H,22,24)
InChIKey
QLXULUNLCRKWRD-UHFFFAOYSA-N
Compound name
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyridin-2-ylbenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

62
Patents

389.06458 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.07186 185.4
[M+Na]+ 412.05380 193.3
[M-H]- 388.05730 191.5
[M+NH4]+ 407.09840 194.7
[M+K]+ 428.02774 186.6
[M+H-H2O]+ 372.06184 173.9
[M+HCOO]- 434.06278 201.7
[M+CH3COO]- 448.07843 219.8
[M+Na-2H]- 410.03925 189.3
[M]+ 389.06403 184.5
[M]- 389.06513 184.5
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