CID 15956707

Chembl205764

Structural Information

Molecular Formula
C15H10ClFN6O3S
SMILES
C1=CC=C(C(=C1)NC(=O)CSC2=NN=NN2C3=C(C=CC(=C3)F)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H10ClFN6O3S/c16-10-6-5-9(17)7-13(10)22-15(19-20-21-22)27-8-14(24)18-11-3-1-2-4-12(11)23(25)26/h1-7H,8H2,(H,18,24)
InChIKey
JVEOTAZTQCLXGS-UHFFFAOYSA-N
Compound name
2-[1-(2-chloro-5-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.02075 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.02803 184.4
[M+Na]+ 431.00997 192.4
[M-H]- 407.01347 188.8
[M+NH4]+ 426.05457 191.3
[M+K]+ 446.98391 181.4
[M+H-H2O]+ 391.01801 177.9
[M+HCOO]- 453.01895 195.8
[M+CH3COO]- 467.03460 213.7
[M+Na-2H]- 428.99542 187.8
[M]+ 408.02020 185.9
[M]- 408.02130 185.9
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.