CID 364782

Nsc631541

Structural Information

Molecular Formula
C16H11F3N2OS
SMILES
C1=CC=C2C(=C1)N=C(S2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C16H11F3N2OS/c17-16(18,19)10-4-3-5-11(8-10)20-14(22)9-15-21-12-6-1-2-7-13(12)23-15/h1-8H,9H2,(H,20,22)
InChIKey
LCLFTUZRQKZADK-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.0544 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.06168 171.6
[M+Na]+ 359.04362 181.8
[M-H]- 335.04712 174.8
[M+NH4]+ 354.08822 187.2
[M+K]+ 375.01756 175.3
[M+H-H2O]+ 319.05166 161.7
[M+HCOO]- 381.05260 186.8
[M+CH3COO]- 395.06825 207.8
[M+Na-2H]- 357.02907 174.5
[M]+ 336.05385 171.9
[M]- 336.05495 171.9
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.