CID 914283

340811-31-6

Structural Information

Molecular Formula
C16H11ClFN3OS
SMILES
C1=CC(=CC(=C1)Cl)NC2=NC(=C(S2)C(=O)C3=CC=C(C=C3)F)N
InChI
InChI=1S/C16H11ClFN3OS/c17-10-2-1-3-12(8-10)20-16-21-15(19)14(23-16)13(22)9-4-6-11(18)7-5-9/h1-8H,19H2,(H,20,21)
InChIKey
WWGPTHOMFHDEEC-UHFFFAOYSA-N
Compound name
[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

347.02954 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.03682 175.6
[M+Na]+ 370.01876 185.7
[M-H]- 346.02226 183.4
[M+NH4]+ 365.06336 190.0
[M+K]+ 385.99270 177.9
[M+H-H2O]+ 330.02680 167.1
[M+HCOO]- 392.02774 190.3
[M+CH3COO]- 406.04339 186.7
[M+Na-2H]- 368.00421 175.0
[M]+ 347.02899 177.3
[M]- 347.03009 177.3
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