CID 506882

Chembl84101

Structural Information

Molecular Formula
C15H11ClFN3O3S
SMILES
C1=CC(=CC=C1F)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NN
InChI
InChI=1S/C15H11ClFN3O3S/c16-8-1-6-12-11(7-8)14(13(19-12)15(21)20-18)24(22,23)10-4-2-9(17)3-5-10/h1-7,19H,18H2,(H,20,21)
InChIKey
GGERXULCLFVLEP-UHFFFAOYSA-N
Compound name
5-chloro-3-(4-fluorophenyl)sulfonyl-1H-indole-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

367.01938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.02666 178.5
[M+Na]+ 390.00860 189.8
[M-H]- 366.01210 183.4
[M+NH4]+ 385.05320 192.7
[M+K]+ 405.98254 182.2
[M+H-H2O]+ 350.01664 171.9
[M+HCOO]- 412.01758 191.0
[M+CH3COO]- 426.03323 211.5
[M+Na-2H]- 387.99405 181.3
[M]+ 367.01883 181.7
[M]- 367.01993 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

literature stripe

Patent stripe

patents stripe