CID 506860

Chembl445364

Structural Information

Molecular Formula
C15H11ClFN3OS
SMILES
C1=CC(=CC=C1F)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)NN
InChI
InChI=1S/C15H11ClFN3OS/c16-8-1-6-12-11(7-8)14(13(19-12)15(21)20-18)22-10-4-2-9(17)3-5-10/h1-7,19H,18H2,(H,20,21)
InChIKey
MHXVHHMUQXNCSS-UHFFFAOYSA-N
Compound name
5-chloro-3-(4-fluorophenyl)sulfanyl-1H-indole-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

335.02954 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.03682 170.5
[M+Na]+ 358.01876 181.7
[M-H]- 334.02226 175.1
[M+NH4]+ 353.06336 186.3
[M+K]+ 373.99270 173.2
[M+H-H2O]+ 318.02680 163.6
[M+HCOO]- 380.02774 184.0
[M+CH3COO]- 394.04339 181.7
[M+Na-2H]- 356.00421 171.9
[M]+ 335.02899 172.9
[M]- 335.03009 172.9
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

No patent data available for this compound.