CID 1278154

2-(1,3-benzothiazol-2-ylsulfanyl)-n-[3-(trifluoromethyl)phenyl]acetamide

Structural Information

Molecular Formula
C16H11F3N2OS2
SMILES
C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C16H11F3N2OS2/c17-16(18,19)10-4-3-5-11(8-10)20-14(22)9-23-15-21-12-6-1-2-7-13(12)24-15/h1-8H,9H2,(H,20,22)
InChIKey
LINKACFZIKXTRX-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0265 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.03378 176.1
[M+Na]+ 391.01572 186.5
[M-H]- 367.01922 178.8
[M+NH4]+ 386.06032 190.8
[M+K]+ 406.98966 179.0
[M+H-H2O]+ 351.02376 166.9
[M+HCOO]- 413.02470 186.0
[M+CH3COO]- 427.04035 186.2
[M+Na-2H]- 389.00117 177.9
[M]+ 368.02595 177.7
[M]- 368.02705 177.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.